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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic 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] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C21H23NO6/c1-13(2)11-25-17-7-4-15(5-8-17)21(24)28-14(3)20(23)22-16-6-9-18-19(10-16)27-12-26-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/t14-/m1/s1