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

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

InChI

InChI=1S/C23H27N3O4/c1-4-29-19-11-9-17(10-12-19)23(28)30-14-21(27)25-22-20(13-24)15(2)16(3)26(22)18-7-5-6-8-18/h9-12,18H,4-8,14H2,1-3H3,(H,25,27)