2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid 2-phthalimidoethyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H20ClNO5/c1-14-13-15(8-9-18(14)22)27-11-4-7-19(24)28-12-10-23-20(25)16-5-2-3-6-17(16)21(23)26/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3