(4-chlorophenyl) 1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate

Systemtic Name: (4-chlorophenyl) 1,3-bis(oxidanylidene)-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: (4-chlorophenyl) 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(pentoxy)methyl]phenyl]-5-isoindolecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 1,3-dioxo-2-(4-pentoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 2-(4-amoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid (4-chlorophenyl) ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22ClNO6/c1-2-3-4-15-34-26(32)17-5-10-20(11-6-17)29-24(30)22-14-7-18(16-23(22)25(29)31)27(33)35-21-12-8-19(28)9-13-21/h5-14,16H,2-4,15H2,1H3