3-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid

Systemtic Name: 3-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid Openeye Name: 3-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid CAS Name: 3-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid IUPAC Name: 3-(3-ethoxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid Traditional Name: 3-(3-carbethoxy-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-4-yl)benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC(=C3)C(=O)O)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC(=C3)C(=O)O)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H25NO5/c1-5-28-21(27)17-12(2)23-15-10-22(3,4)11-16(24)19(15)18(17)13-7-6-8-14(9-13)20(25)26/h6-9,18,23H,5,10-11H2,1-4H3,(H,25,26)