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

Systemtic Name: (E)-3-[1-[(3-methylphenyl)methyl]pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(m-tolylmethyl)pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[(3-methylphenyl)methyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-[(3-methylphenyl)methyl]pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-methylbenzyl)pyrrol-2-yl]acrylic acid Formula: C15H15NO2 MolecularWeight: 241.2851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2/c1-12-4-2-5-13(10-12)11-16-9-3-6-14(16)7-8-15(17)18/h2-10H,11H2,1H3,(H,17,18)/b8-7+