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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-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-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H20ClNO4 MolecularWeight: 469.9157

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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=CC=C5Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C28H20ClNO4/c1-16-11-12-19-18(13-26(31)34-27(19)17(16)2)15-33-28(32)22-14-25(21-8-3-5-9-23(21)29)30-24-10-6-4-7-20(22)24/h3-14H,15H2,1-2H3