3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 3,5-dimethyl-4-[(E)-3-(m-tolyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dimethyl-4-[(E)-3-(m-tolyl)acryloyl]-1H-pyrrole-2-carboxylic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)O)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)O)C

InChI

InChI=1S/C17H17NO3/c1-10-5-4-6-13(9-10)7-8-14(19)15-11(2)16(17(20)21)18-12(15)3/h4-9,18H,1-3H3,(H,20,21)/b8-7+