(E)-3-[1-(3-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(3-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-ethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=CC(=C2C)C=CC(=O)O)C

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C/C(=O)O)C

InChI

InChI=1S/C17H19NO2/c1-4-14-6-5-7-16(11-14)18-12(2)10-15(13(18)3)8-9-17(19)20/h5-11H,4H2,1-3H3,(H,19,20)/b9-8+