(E)-3-[4-(4-dimethylaminophenyl)carbonyl-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-dimethylaminophenyl)carbonyl-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(dimethylamino)benzoyl]-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(dimethylamino)benzoyl]-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(dimethylamino)benzoyl]-1-methyl-pyrrol-2-yl]acrylic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C=CC(=O)O)C(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CN1C=C(C=C1/C=C/C(=O)O)C(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H18N2O3/c1-18(2)14-6-4-12(5-7-14)17(22)13-10-15(19(3)11-13)8-9-16(20)21/h4-11H,1-3H3,(H,20,21)/b9-8+