phenacyl 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid phenacyl ester Formula: C33H26N2O5 MolecularWeight: 530.56994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O

InChI

InChI=1S/C33H26N2O5/c1-20-8-7-13-24-27(33(39)40-19-29(36)22-9-3-2-4-10-22)18-28(34-30(20)24)21-14-16-23(17-15-21)35-31(37)25-11-5-6-12-26(25)32(35)38/h2-10,13-18,25-26H,11-12,19H2,1H3