[(2S)-2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)-3-phenyl-propyl] 4-(3-methyl-2-oxo-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(3-methyl-2-oxo-1-benzimidazolyl)-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)-3-phenylpropyl] 4-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3-methyl-benzimidazol-1-yl)piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)-3-phenyl-propyl] ester Formula: C37H40N4O3 MolecularWeight: 588.7385

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)OCC(CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)OC[C@H](CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C37H40N4O3/c1-38-34-19-11-12-20-35(34)41(36(38)42)32-21-23-39(24-22-32)37(43)44-28-33(25-29-13-5-2-6-14-29)40(26-30-15-7-3-8-16-30)27-31-17-9-4-10-18-31/h2-20,32-33H,21-28H2,1H3/t33-/m0/s1