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

Systemtic Name: 3-methylbutyl 2-(4-methoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: isopentyl 2-(4-methoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-methoxyphenyl)isoindoline-5-carboxylic acid isoamyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-13(2)10-11-27-21(25)14-4-9-17-18(12-14)20(24)22(19(17)23)15-5-7-16(26-3)8-6-15/h4-9,12-13H,10-11H2,1-3H3