[2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-hydroxyphenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(2-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-hydroxyphenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-(2-hydroxyphenyl)-2-keto-ethyl] ester Formula: C33H27BrN2O6 MolecularWeight: 627.48128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC=CC=C6O

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC=CC=C6O

InChI

InChI=1S/C33H27BrN2O6/c1-18-14-20(34)15-25-26(33(41)42-17-29(38)24-8-4-5-9-28(24)37)16-27(35-30(18)25)19-10-12-21(13-11-19)36-31(39)22-6-2-3-7-23(22)32(36)40/h4-5,8-16,22-23,37H,2-3,6-7,17H2,1H3