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

Systemtic Name: 5-butyl-2-[(E)-4-(dimethylamino)-2-oxidanylidene-3-phenyl-but-3-enoyl]benzoic acid Openeye Name: 5-butyl-2-[(E)-4-(dimethylamino)-2-oxo-3-phenyl-but-3-enoyl]benzoic acid CAS Name: 5-butyl-2-[(E)-4-(dimethylamino)-1,2-dioxo-3-phenylbut-3-enyl]benzoic acid IUPAC Name: 5-butyl-2-[(E)-4-(dimethylamino)-2-oxo-3-phenylbut-3-enoyl]benzoic acid Traditional Name: 5-butyl-2-[(E)-4-(dimethylamino)-2-keto-3-phenyl-but-3-enoyl]benzoic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)C(=O)C(=CN(C)C)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)C(=O)/C(=C/N(C)C)/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H25NO4/c1-4-5-9-16-12-13-18(19(14-16)23(27)28)21(25)22(26)20(15-24(2)3)17-10-7-6-8-11-17/h6-8,10-15H,4-5,9H2,1-3H3,(H,27,28)/b20-15+