octyl 1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindole-5-carboxylate

Systemtic Name: octyl 1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindole-5-carboxylate Openeye Name: octyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolecarboxylic acid octyl ester IUPAC Name: octyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-phenoxyphenyl)isoindoline-5-carboxylic acid octyl ester Formula: C29H29NO5 MolecularWeight: 471.54426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H29NO5/c1-2-3-4-5-6-10-19-34-29(33)21-13-18-25-26(20-21)28(32)30(27(25)31)22-14-16-24(17-15-22)35-23-11-8-7-9-12-23/h7-9,11-18,20H,2-6,10,19H2,1H3