2-(4,4-dimethyl-2-oxidanylidene-1,3-dihydroquinolin-7-yl)ethynyl benzoate

Systemtic Name: 2-(4,4-dimethyl-2-oxidanylidene-1,3-dihydroquinolin-7-yl)ethynyl benzoate Openeye Name: 2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)ethynyl benzoate CAS Name: benzoic acid 2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)ethynyl ester IUPAC Name: 2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(2-keto-4,4-dimethyl-1,3-dihydroquinolin-7-yl)ethynyl ester Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)NC2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)NC2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H17NO3/c1-20(2)13-18(22)21-17-12-14(8-9-16(17)20)10-11-24-19(23)15-6-4-3-5-7-15/h3-9,12H,13H2,1-2H3,(H,21,22)