methyl 4-(3-cyanophenyl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-(3-cyanophenyl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(3-cyanophenyl)-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-(3-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-4-(3-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H20N2O2/c1-15-20(19-11-7-10-18(12-19)13-23)21(22(25)26-3)16(2)24(15)14-17-8-5-4-6-9-17/h4-12H,14H2,1-3H3