1-[[2-[4-[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-[4-[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methoxy-3-oxo-propyl]phenyl]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-[4-[(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxy-3-oxopropyl]phenyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-keto-3-methoxy-propyl]phenyl]benzyl]isonipecotic acid Formula: C30H31ClN2O5 MolecularWeight: 535.03054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2CN3CCC(CC3)C(=O)O)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2CN3CCC(CC3)C(=O)O)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C30H31ClN2O5/c1-38-30(37)27(32-28(34)25-8-4-5-9-26(25)31)18-20-10-12-21(13-11-20)24-7-3-2-6-23(24)19-33-16-14-22(15-17-33)29(35)36/h2-13,22,27H,14-19H2,1H3,(H,32,34)(H,35,36)/t27-/m0/s1