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

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic 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] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C)C3CCCC3)C

InChI

InChI=1S/C23H28N4O3/c1-15-16(2)27(18-9-5-6-10-18)22(20(15)13-24)25-21(28)14-30-23(29)17-8-7-11-19(12-17)26(3)4/h7-8,11-12,18H,5-6,9-10,14H2,1-4H3,(H,25,28)