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

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-2-oxidanylidene-1-phenethyl-3H-quinolin-6-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethyl-2-oxo-1-phenethyl-3H-quinolin-6-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-2-oxo-1-phenethyl-3H-quinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-2-oxo-1-phenethyl-3H-quinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(2-keto-4,4-dimethyl-1-phenethyl-3H-quinolin-6-yl)prop-1-enyl]benzoic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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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)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=O)N(C2=C1C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C29H27NO4/c1-29(2)19-27(32)30(17-16-20-6-4-3-5-7-20)25-14-13-23(18-24(25)29)26(31)15-10-21-8-11-22(12-9-21)28(33)34/h3-15,18H,16-17,19H2,1-2H3,(H,33,34)/b15-10+