(E)-3-[1-methyl-4-(4-methylphenyl)carbonyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-methyl-4-(4-methylphenyl)carbonyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-4-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-(1-methyl-4-p-toluoyl-pyrrol-2-yl)acrylic acid Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CN(C(=C2)C=CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CN(C(=C2)/C=C/C(=O)O)C

InChI

InChI=1S/C16H15NO3/c1-11-3-5-12(6-4-11)16(20)13-9-14(17(2)10-13)7-8-15(18)19/h3-10H,1-2H3,(H,18,19)/b8-7+