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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid phthalimidomethyl ester Formula: C20H18BrNO6 MolecularWeight: 448.26402

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H18BrNO6/c1-3-8-27-17-15(21)9-12(10-16(17)26-2)20(25)28-11-22-18(23)13-6-4-5-7-14(13)19(22)24/h4-7,9-10H,3,8,11H2,1-2H3