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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (6-isopropyl-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-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-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C31H27NO5 MolecularWeight: 493.54978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27NO5/c1-18(2)24-15-25-21(14-30(33)37-29(25)13-19(24)3)17-36-31(34)26-16-28(20-9-11-22(35-4)12-10-20)32-27-8-6-5-7-23(26)27/h5-16,18H,17H2,1-4H3