methyl (3S,4S)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-benzyl-4-(3-ethyl-2-oxo-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: (3S,4S)-4-(3-ethyl-2-oxo-1-benzimidazolyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-benzyl-4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: (3S,4S)-1-benzyl-4-(3-ethyl-2-keto-benzimidazol-1-yl)nipecotic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCN(C[C@@H]3C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-3-25-20-11-7-8-12-21(20)26(23(25)28)19-13-14-24(16-18(19)22(27)29-2)15-17-9-5-4-6-10-17/h4-12,18-19H,3,13-16H2,1-2H3/t18-,19-/m0/s1