ethyl 1-[1,3-dimethyl-6-[(3-methylphenyl)carbonylamino]-2-oxidanylidene-benzimidazol-5-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1,3-dimethyl-6-[(3-methylphenyl)carbonylamino]-2-oxidanylidene-benzimidazol-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1,3-dimethyl-6-[(3-methylbenzoyl)amino]-2-oxo-benzimidazol-5-yl]piperidine-4-carboxylate CAS Name: 1-[1,3-dimethyl-6-[[(3-methylphenyl)-oxomethyl]amino]-2-oxo-5-benzimidazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-dimethyl-6-[(3-methylbenzoyl)amino]-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-1,3-dimethyl-6-(m-toluoylamino)benzimidazol-5-yl]isonipecotic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3C)C)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H30N4O4/c1-5-33-24(31)17-9-11-29(12-10-17)20-15-22-21(27(3)25(32)28(22)4)14-19(20)26-23(30)18-8-6-7-16(2)13-18/h6-8,13-15,17H,5,9-12H2,1-4H3,(H,26,30)