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

Systemtic Name: 3-[(E)-3-[2-(4-methylphenyl)carbonylpyrrol-1-yl]prop-1-enyl]benzoic acid Openeye Name: 3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid CAS Name: 3-[(E)-3-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]prop-1-enyl]benzoic acid IUPAC Name: 3-[(E)-3-[2-(4-methylbenzoyl)pyrrol-1-yl]prop-1-enyl]benzoic acid Traditional Name: 3-[(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(=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3/c1-16-9-11-18(12-10-16)21(24)20-8-4-14-23(20)13-3-6-17-5-2-7-19(15-17)22(25)26/h2-12,14-15H,13H2,1H3,(H,25,26)/b6-3+