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

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)propanoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-(2-chlorophenyl)propanoate CAS Name: 3-(2-chlorophenyl)propanoic 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-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)propionic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC2=CC=CC=C2Cl)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC2=CC=CC=C2Cl)C3CCCC3)C

InChI

InChI=1S/C23H26ClN3O3/c1-15-16(2)27(18-8-4-5-9-18)23(19(15)13-25)26-21(28)14-30-22(29)12-11-17-7-3-6-10-20(17)24/h3,6-7,10,18H,4-5,8-9,11-12,14H2,1-2H3,(H,26,28)