[1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-cinchoninic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C36H31BrN2O6 MolecularWeight: 667.54514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OC(C)C(=O)C6=CC=C(C=C6)OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OC(C)C(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C36H31BrN2O6/c1-4-21-17-24(37)18-29-30(36(43)45-20(2)33(40)23-11-15-26(44-3)16-12-23)19-31(38-32(21)29)22-9-13-25(14-10-22)39-34(41)27-7-5-6-8-28(27)35(39)42/h5-6,9-20,27-28H,4,7-8H2,1-3H3