(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl quinoline-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl quinoline-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H17NO4 MolecularWeight: 359.37468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H17NO4/c1-13-9-17-16(11-21(24)27-20(17)10-14(13)2)12-26-22(25)19-8-7-15-5-3-4-6-18(15)23-19/h3-11H,12H2,1-2H3