1-[(3-chlorophenyl)-phenyl-carbamoyl]-2-methoxycarbonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-2-methoxycarbonyl-piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-2-methoxycarbonyl-piperidine-4-carboxylic acid CAS Name: 1-[(N-(3-chlorophenyl)anilino)-oxomethyl]-2-methoxycarbonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-phenylcarbamoyl]-2-methoxycarbonylpiperidine-4-carboxylic acid Traditional Name: 2-carbomethoxy-1-[(3-chlorophenyl)-phenyl-carbamoyl]isonipecotic acid Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCN1C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

COC(=O)C1CC(CCN1C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O5/c1-29-20(27)18-12-14(19(25)26)10-11-23(18)21(28)24(16-7-3-2-4-8-16)17-9-5-6-15(22)13-17/h2-9,13-14,18H,10-12H2,1H3,(H,25,26)