[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)NC3(CCCCC3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)NC3(CCCCC3)C#N)C

InChI

InChI=1S/C23H27N3O3/c1-16-7-9-19(10-8-16)26-17(2)13-20(18(26)3)22(28)29-14-21(27)25-23(15-24)11-5-4-6-12-23/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,25,27)