(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C31H27NO4 MolecularWeight: 477.55038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

InChI

InChI=1S/C31H27NO4/c1-18(2)24-15-25-22(14-30(33)36-29(25)13-20(24)4)17-35-31(34)26-16-28(21-11-9-19(3)10-12-21)32-27-8-6-5-7-23(26)27/h5-16,18H,17H2,1-4H3