[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C23H27N3O3/c1-16-14-20(17(2)26(16)19-10-6-4-7-11-19)22(28)29-18(3)21(27)25-23(15-24)12-8-5-9-13-23/h4,6-7,10-11,14,18H,5,8-9,12-13H2,1-3H3,(H,25,27)