(E)-3-[2,5-dimethyl-1-(4-propylphenyl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,5-dimethyl-1-(4-propylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[2,5-dimethyl-1-(4-propylphenyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-(4-propylphenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[2,5-dimethyl-1-(4-propylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[2,5-dimethyl-1-(4-propylphenyl)pyrrol-3-yl]acrylic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=CC(=O)O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C(=O)O)C

InChI

InChI=1S/C18H21NO2/c1-4-5-15-6-9-17(10-7-15)19-13(2)12-16(14(19)3)8-11-18(20)21/h6-12H,4-5H2,1-3H3,(H,20,21)/b11-8+