4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3,4-dimethylbenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3,4-dimethylbenzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid 4-phthalimidobutyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H21NO4/c1-14-9-10-16(13-15(14)2)21(25)26-12-6-5-11-22-19(23)17-7-3-4-8-18(17)20(22)24/h3-4,7-10,13H,5-6,11-12H2,1-2H3