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

Systemtic Name: 4-[(E)-3-(4,4-dimethyl-1-octyl-2-oxidanylidene-3H-quinolin-6-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(4,4-dimethyl-1-octyl-2-oxo-3H-quinolin-6-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(4,4-dimethyl-1-octyl-2-oxo-3H-quinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4,4-dimethyl-1-octyl-2-oxo-3H-quinolin-6-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(2-keto-4,4-dimethyl-1-octyl-3H-quinolin-6-yl)prop-1-enyl]benzoic acid Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(C2=C1C=CC(=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCCCCCN1C(=O)CC(C2=C1C=CC(=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C29H35NO4/c1-4-5-6-7-8-9-18-30-25-16-15-23(19-24(25)29(2,3)20-27(30)32)26(31)17-12-21-10-13-22(14-11-21)28(33)34/h10-17,19H,4-9,18,20H2,1-3H3,(H,33,34)/b17-12+