[2-oxidanyl-5-oxidanylidene-3-(prop-2-enoxycarbonylamino)hexyl] 3-(phenylmethyl)benzoate

Systemtic Name: [2-oxidanyl-5-oxidanylidene-3-(prop-2-enoxycarbonylamino)hexyl] 3-(phenylmethyl)benzoate Openeye Name: [3-(allyloxycarbonylamino)-2-hydroxy-5-oxo-hexyl] 3-benzylbenzoate CAS Name: 3-(phenylmethyl)benzoic acid [2-hydroxy-5-oxo-3-[[oxo(prop-2-enoxy)methyl]amino]hexyl] ester IUPAC Name: [2-hydroxy-5-oxo-3-(prop-2-enoxycarbonylamino)hexyl] 3-benzylbenzoate Traditional Name: 3-benzylbenzoic acid [3-(allyloxycarbonylamino)-2-hydroxy-5-keto-hexyl] ester Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(COC(=O)C1=CC(=CC=C1)CC2=CC=CC=C2)O)NC(=O)OCC=C

Isomeric SMILES

CC(=O)CC(C(COC(=O)C1=CC(=CC=C1)CC2=CC=CC=C2)O)NC(=O)OCC=C

InChI

InChI=1S/C24H27NO6/c1-3-12-30-24(29)25-21(13-17(2)26)22(27)16-31-23(28)20-11-7-10-19(15-20)14-18-8-5-4-6-9-18/h3-11,15,21-22,27H,1,12-14,16H2,2H3,(H,25,29)