4-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(2-p-toluoylpyrrol-1-yl)prop-1-enyl]benzoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2C/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19NO3/c1-16-6-10-18(11-7-16)21(24)20-5-3-15-23(20)14-2-4-17-8-12-19(13-9-17)22(25)26/h2-13,15H,14H2,1H3,(H,25,26)/b4-2+