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

Systemtic Name: 3-methylbutyl 1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindole-5-carboxylate Openeye Name: isopentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-phenoxyphenyl)isoindoline-5-carboxylic acid isoamyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO5/c1-17(2)14-15-31-26(30)18-8-13-22-23(16-18)25(29)27(24(22)28)19-9-11-21(12-10-19)32-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3