ethyl (3S)-1-[2-ethyl-7-[(2-methoxyphenyl)carbonylamino]-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-ethyl-7-[(2-methoxyphenyl)carbonylamino]-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-ethyl-7-[(2-methoxybenzoyl)amino]-1-methyl-benzimidazole-5-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-ethyl-7-[[(2-methoxyphenyl)-oxomethyl]amino]-1-methyl-5-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-ethyl-7-[(2-methoxybenzoyl)amino]-1-methylbenzimidazole-5-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-ethyl-1-methyl-7-(o-anisoylamino)benzimidazole-5-carbonyl]nipecotic acid ethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C)C(=CC(=C2)C(=O)N3CCCC(C3)C(=O)OCC)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=NC2=C(N1C)C(=CC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)OCC)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H32N4O5/c1-5-23-28-20-14-18(26(33)31-13-9-10-17(16-31)27(34)36-6-2)15-21(24(20)30(23)3)29-25(32)19-11-7-8-12-22(19)35-4/h7-8,11-12,14-15,17H,5-6,9-10,13,16H2,1-4H3,(H,29,32)/t17-/m0/s1