[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H17NO6/c1-10-3-5-13(14(20)7-10)18(22)25-11(2)17(21)19-12-4-6-15-16(8-12)24-9-23-15/h3-8,11,20H,9H2,1-2H3,(H,19,21)/t11-/m1/s1