4-[(E)-3-oxidanylidene-3-(1,4,4-trimethyl-2-oxidanylidene-3H-quinolin-6-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(1,4,4-trimethyl-2-oxidanylidene-3H-quinolin-6-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-oxo-3-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-oxo-3-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-oxo-3-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(2-keto-1,4,4-trimethyl-3H-quinolin-6-yl)prop-1-enyl]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=C1C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1(CC(=O)N(C2=C1C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C22H21NO4/c1-22(2)13-20(25)23(3)18-10-9-16(12-17(18)22)19(24)11-6-14-4-7-15(8-5-14)21(26)27/h4-12H,13H2,1-3H3,(H,26,27)/b11-6+