[(2R,3R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-hex-5-enyl] benzoate

Systemtic Name: [(2R,3R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-hex-5-enyl] benzoate Openeye Name: [(2R,3R)-3-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-hex-5-enyl] benzoate CAS Name: benzoic acid [(2R,3R)-3-(1,3-dioxo-2-isoindolyl)-2-hydroxyhex-5-enyl] ester IUPAC Name: [(2R,3R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyhex-5-enyl] benzoate Traditional Name: benzoic acid [(2R,3R)-2-hydroxy-3-phthalimido-hex-5-enyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(COC(=O)C1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C=CC[C@H]([C@H](COC(=O)C1=CC=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5/c1-2-8-17(18(23)13-27-21(26)14-9-4-3-5-10-14)22-19(24)15-11-6-7-12-16(15)20(22)25/h2-7,9-12,17-18,23H,1,8,13H2/t17-,18+/m1/s1