[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3/c1-13-11-17(14(2)23(13)16-7-8-16)20(25)26-10-9-19(24)22-18-6-4-3-5-15(18)12-21/h3-6,11,16H,7-10H2,1-2H3,(H,22,24)