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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C22H25NO7/c1-4-27-12-17-10-16(6-8-18(17)26-3)22(25)30-14(2)21(24)23-11-15-5-7-19-20(9-15)29-13-28-19/h5-10,14H,4,11-13H2,1-3H3,(H,23,24)/t14-/m1/s1