4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid 4-phthalimidobutyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)OC

InChI

InChI=1S/C21H20ClNO6/c1-27-17-12-13(11-16(22)18(17)28-2)21(26)29-10-6-5-9-23-19(24)14-7-3-4-8-15(14)20(23)25/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3