methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate

Systemtic Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-methoxy-benzoate Openeye Name: methyl 4-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C20H21NO7/c1-12(28-16-7-5-14(20(23)25-3)9-17(16)24-2)19(22)21-10-13-4-6-15-18(8-13)27-11-26-15/h4-9,12H,10-11H2,1-3H3,(H,21,22)/t12-/m1/s1