1-aminocarbonyl-2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-2-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-2-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-carbamoyl-2-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-2-phenyl-piperidine-4-carboxylic acid CAS Name: 1-carbamoyl-2-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-2-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-carbamoyl-2-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-2-phenylpiperidine-4-carboxylic acid Traditional Name: 1-carbamoyl-2-[(3-chloro-4-methoxy-benzyl)carbamoyl]-2-phenyl-isonipecotic acid Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2(CC(CCN2C(=O)N)C(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2(CC(CCN2C(=O)N)C(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3O5/c1-31-18-8-7-14(11-17(18)23)13-25-20(29)22(16-5-3-2-4-6-16)12-15(19(27)28)9-10-26(22)21(24)30/h2-8,11,15H,9-10,12-13H2,1H3,(H2,24,30)(H,25,29)(H,27,28)