phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-phthalimidophenyl)cinchoninic acid phenacyl ester Formula: C32H19BrN2O5 MolecularWeight: 591.40766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C32H19BrN2O5/c33-21-12-15-27-25(16-21)26(32(39)40-18-29(36)20-6-2-1-3-7-20)17-28(34-27)19-10-13-22(14-11-19)35-30(37)23-8-4-5-9-24(23)31(35)38/h1-17H,18H2