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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid 2-phthalimidoethyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H20BrNO6/c1-3-9-28-18-16(22)11-13(12-17(18)27-2)21(26)29-10-8-23-19(24)14-6-4-5-7-15(14)20(23)25/h4-7,11-12H,3,8-10H2,1-2H3