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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid 4-phthalimidobutyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H22ClNO6/c1-3-29-19-17(23)12-14(13-18(19)28-2)22(27)30-11-7-6-10-24-20(25)15-8-4-5-9-16(15)21(24)26/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3