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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CSC(=C2C(=O)C3=CC=CC=C3Cl)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCC(C1C2=CSC(=C2C(=O)C3=CC=CC=C3Cl)N)C(=O)OCC4=CC=CC=C4

InChI

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