4-[(E)-1-cyano-2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-1-cyano-vinyl]benzoic acid Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2/c1-16-12-21(17(2)25(16)15-18-6-4-3-5-7-18)13-22(14-24)19-8-10-20(11-9-19)23(26)27/h3-13H,15H2,1-2H3,(H,26,27)/b22-13-