methyl 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperidine-2-carboxylate

Systemtic Name: methyl 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperidine-2-carboxylate Openeye Name: methyl 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperidine-2-carboxylate CAS Name: 1-[(N-(3-chlorophenyl)anilino)-oxomethyl]-4-[(dipentylamino)-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chlorophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperidine-2-carboxylate Traditional Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(diamylcarbamoyl)pipecolinic acid methyl ester Formula: C31H42ClN3O4 MolecularWeight: 556.13588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C1CCN(C(C1)C(=O)OC)C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C1CCN(C(C1)C(=O)OC)C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C31H42ClN3O4/c1-4-6-11-19-33(20-12-7-5-2)29(36)24-18-21-34(28(22-24)30(37)39-3)31(38)35(26-15-9-8-10-16-26)27-17-13-14-25(32)23-27/h8-10,13-17,23-24,28H,4-7,11-12,18-22H2,1-3H3