[2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyloxy)phenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[2-furanyl(oxo)methoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyloxy)phenyl]-2-oxoethyl] 6-bromo-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3,8-dimethyl-cinchoninic acid [2-[4-(2-furoyloxy)phenyl]-2-keto-ethyl] ester Formula: C38H28BrNO7 MolecularWeight: 690.53542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CO6

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CO6

InChI

InChI=1S/C38H28BrNO7/c1-23-19-28(39)20-31-34(38(43)46-22-32(41)26-10-16-30(17-11-26)47-37(42)33-9-6-18-44-33)24(2)36(40-35(23)31)27-12-14-29(15-13-27)45-21-25-7-4-3-5-8-25/h3-20H,21-22H2,1-2H3