CAS Registry Number®
283159-90-0
CAS Name
Valifenalate
Molecular Formula
C19H27ClN2O5
Molecular Mass
398.88
Other Names and Identifiers
InChI
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChIKey
InChIKey=DBXFMOWZRXXBRN-LWKPJOBUSA-N
SMILES
C(NC([C@@H](NC(OC(C)C)=O)[C@@H](C)C)=O)(CC(OC)=O)C1=CC=C(Cl)C=C1
Canonical SMILES
O=C(OC(C)C)NC(C(=O)NC(C1=CC=C(Cl)C=C1)CC(=O)OC)C(C)C
Other Names for this Substance
- β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester
- IR 5885
- Valiphenal
- Valifenalate
