[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCC(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H21N3O3/c1-16-7-8-17(2)26(16)20-11-9-18(10-12-20)23(28)29-14-13-22(27)25-21-6-4-3-5-19(21)15-24/h3-12H,13-14H2,1-2H3,(H,25,27)