ethyl (3S)-1-[(2-methyl-3H-benzimidazol-5-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-methyl-3H-benzimidazol-5-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2-methyl-3H-benzimidazol-5-yl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C)CC4=CC=CC=C4C

InChI

InChI=1S/C25H29N3O3/c1-4-31-24(30)25(15-20-9-6-5-8-17(20)2)12-7-13-28(16-25)23(29)19-10-11-21-22(14-19)27-18(3)26-21/h5-6,8-11,14H,4,7,12-13,15-16H2,1-3H3,(H,26,27)/t25-/m0/s1