4-[3-ethoxycarbonyl-7,7-dimethyl-2,5-bis(oxidanylidene)-6,8-dihydroquinolin-1-yl]benzoic acid

Systemtic Name: 4-[3-ethoxycarbonyl-7,7-dimethyl-2,5-bis(oxidanylidene)-6,8-dihydroquinolin-1-yl]benzoic acid Openeye Name: 4-(3-ethoxycarbonyl-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinolin-1-yl)benzoic acid CAS Name: 4-(3-ethoxycarbonyl-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinolin-1-yl)benzoic acid IUPAC Name: 4-(3-ethoxycarbonyl-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinolin-1-yl)benzoic acid Traditional Name: 4-(3-carbethoxy-2,5-diketo-7,7-dimethyl-6,8-dihydroquinolin-1-yl)benzoic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)N(C1=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(CC(CC2=O)(C)C)N(C1=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO6/c1-4-28-20(27)15-9-14-16(10-21(2,3)11-17(14)23)22(18(15)24)13-7-5-12(6-8-13)19(25)26/h5-9H,4,10-11H2,1-3H3,(H,25,26)