CAS Registry Number®
147770-06-7
CAS Name
Ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate
Molecular Formula
C29H40N2O4
Molecular Mass
480.64
Compound Properties
-
Melting Point (1)
122-124 °C
Source(s)
- (1) Grell, Wolfgang; Journal of Medicinal Chemistry, (1998), 41(26), 5219-5246, CAplus
Other Names and Identifiers
InChI
InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)/t25-/m0/s1
InChIKey
InChIKey=FTCMVLQJMIXDSI-VWLOTQADSA-N
SMILES
[C@H](NC(CC1=CC(OCC)=C(C(OCC)=O)C=C1)=O)(CC(C)C)C2=C(C=CC=C2)N3CCCCC3
Canonical SMILES
O=C(OCC)C1=CC=C(C=C1OCC)CC(=O)NC(C=2C=CC=CC2N3CCCCC3)CC(C)C
Other Names for this Substance
- Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester
- Benzoic acid, 2-ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester, (S)-
- Ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate
- (S)-Ethyl 2-ethoxy-4-[[[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]amino]carbonyl]methyl]benzoate
- (S)-2-Ethoxy-4-[[[N-[1-(2-piperidinophenyl)-3-methylbutyl]amino]carbonyl]methyl]benzoic acid ethyl ester
- (S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
Deleted or Replaced CAS Registry Numbers
947515-71-1
