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

Systemtic Name: phenacyl 1,3-bis(oxidanylidene)-2-(2-pentoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: phenacyl 1,3-dioxo-2-(2-pentoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[2-[oxo(pentoxy)methyl]phenyl]-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1,3-dioxo-2-(2-pentoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 2-(2-amoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid phenacyl ester Formula: C29H25NO7 MolecularWeight: 499.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H25NO7/c1-2-3-9-16-36-29(35)22-12-7-8-13-24(22)30-26(32)21-15-14-20(17-23(21)27(30)33)28(34)37-18-25(31)19-10-5-4-6-11-19/h4-8,10-15,17H,2-3,9,16,18H2,1H3