[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid phthalimidomethyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H20ClNO6/c1-12(2)10-28-18-16(22)8-13(9-17(18)27-3)21(26)29-11-23-19(24)14-6-4-5-7-15(14)20(23)25/h4-9,12H,10-11H2,1-3H3