methyl 5-[(E)-2-cyanoethenyl]-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(E)-2-cyanoethenyl]-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-5-[(E)-2-cyanovinyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyanoethenyl]-2-methyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylbenzoyl)-5-[(E)-2-cyanoethenyl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-5-[(E)-2-cyanovinyl]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=CC#N)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)/C=C/C#N)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H20N2O3/c1-16-21(24(28)29-2)22(20(26-16)13-8-14-25)23(27)19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-13,26H,15H2,1-2H3/b13-8+