(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H21NO5 MolecularWeight: 451.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H21NO5/c1-17-7-12-21-19(14-27(30)34-26(21)13-17)16-33-28(31)23-15-25(18-8-10-20(32-2)11-9-18)29-24-6-4-3-5-22(23)24/h3-15H,16H2,1-2H3