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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-pentoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H27NO6/c1-3-4-5-12-27-19-9-7-18(8-10-19)23(26)30-16(2)22(25)24-14-17-6-11-20-21(13-17)29-15-28-20/h6-11,13,16H,3-5,12,14-15H2,1-2H3,(H,24,25)