[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2,3-dimethylanilino)benzoate CAS Name: 2-(2,3-dimethylanilino)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate Traditional Name: 2-(2,3-dimethylanilino)benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)N(C)C3(CCCCC3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)N(C)C3(CCCCC3)C#N)C

InChI

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