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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid 4-phthalimidobutyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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