(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C29H23NO5 MolecularWeight: 465.49662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H23NO5/c1-17-8-13-22-20(14-27(31)35-28(22)18(17)2)16-34-29(32)24-15-26(19-9-11-21(33-3)12-10-19)30-25-7-5-4-6-23(24)25/h4-15H,16H2,1-3H3