2-[(E)-4-(dimethylamino)-2-oxidanylidene-3-phenyl-but-3-enoyl]-5-methyl-benzoic acid

Systemtic Name: 2-[(E)-4-(dimethylamino)-2-oxidanylidene-3-phenyl-but-3-enoyl]-5-methyl-benzoic acid Openeye Name: 2-[(E)-4-(dimethylamino)-2-oxo-3-phenyl-but-3-enoyl]-5-methyl-benzoic acid CAS Name: 2-[(E)-4-(dimethylamino)-1,2-dioxo-3-phenylbut-3-enyl]-5-methylbenzoic acid IUPAC Name: 2-[(E)-4-(dimethylamino)-2-oxo-3-phenylbut-3-enoyl]-5-methylbenzoic acid Traditional Name: 2-[(E)-4-(dimethylamino)-2-keto-3-phenyl-but-3-enoyl]-5-methyl-benzoic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C(=O)C(=CN(C)C)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4/c1-13-9-10-15(16(11-13)20(24)25)18(22)19(23)17(12-21(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,25)/b17-12+