methyl (2S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(4-chlorobenzoyl)nipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN2O4/c1-30-23(29)20(14-16-6-3-2-4-7-16)25-21(27)18-8-5-13-26(15-18)22(28)17-9-11-19(24)12-10-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3,(H,25,27)/t18?,20-/m0/s1