butyl 4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: butyl 4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: butyl 4-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid butyl ester IUPAC Name: butyl 4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(piperonylamino)ethoxy]benzoic acid butyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-3-4-11-26-22(25)17-6-8-18(9-7-17)29-15(2)21(24)23-13-16-5-10-19-20(12-16)28-14-27-19/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,23,24)/t15-/m0/s1