[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)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)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N)C

InChI

InChI=1S/C23H27N3O3/c1-14-9-10-19(15(2)11-14)23(28)29-13-21(27)25-22-20(12-24)16(3)17(4)26(22)18-7-5-6-8-18/h9-11,18H,5-8,13H2,1-4H3,(H,25,27)