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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic 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] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C22H25NO7/c1-4-10-27-17-8-6-15(11-19(17)26-5-2)22(25)30-14(3)21(24)23-16-7-9-18-20(12-16)29-13-28-18/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,24)/t14-/m1/s1