ethyl 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: ethyl 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: ethyl 3-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 3-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethoxy]benzoic acid ethyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-3-24-20(23)15-5-4-6-16(10-15)27-13(2)19(22)21-11-14-7-8-17-18(9-14)26-12-25-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1