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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(dimethylamino)benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid 4-phthalimidobutyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-22(2)16-9-7-8-15(14-16)21(26)27-13-6-5-12-23-19(24)17-10-3-4-11-18(17)20(23)25/h3-4,7-11,14H,5-6,12-13H2,1-2H3