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

Systemtic Name: 4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(2,4-dimethylphenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-10-5-6-14(11(2)9-10)7-8-15(20)16-12(3)17(18(21)22)19-13(16)4/h5-9,19H,1-4H3,(H,21,22)/b8-7+