(phenylmethyl) 1-[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[5-azanyl-4-(2-chlorophenyl)carbonyl-thiophen-3-yl]piperidine-4-carboxylate Openeye Name: benzyl 1-[5-amino-4-(2-chlorobenzoyl)-3-thienyl]piperidine-4-carboxylate CAS Name: 1-[5-amino-4-[(2-chlorophenyl)-oxomethyl]-3-thiophenyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[5-amino-4-(2-chlorobenzoyl)thiophen-3-yl]piperidine-4-carboxylate Traditional Name: 1-[5-amino-4-(2-chlorobenzoyl)-3-thienyl]isonipecotic acid benzyl ester Formula: C24H23ClN2O3S MolecularWeight: 454.96902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)C4=CC=CC=C4Cl)N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CSC(=C3C(=O)C4=CC=CC=C4Cl)N

InChI

InChI=1S/C24H23ClN2O3S/c25-19-9-5-4-8-18(19)22(28)21-20(15-31-23(21)26)27-12-10-17(11-13-27)24(29)30-14-16-6-2-1-3-7-16/h1-9,15,17H,10-14,26H2