methyl (3S)-3-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H21ClN2O4/c1-28-20(26)13-17(14-6-3-2-4-7-14)23-21(27)15-9-10-16(22)18(12-15)24-11-5-8-19(24)25/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,23,27)/t17-/m0/s1