(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-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 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-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=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C)C(C)C

InChI

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