[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6/c1-16(23(29)27-14-17-5-10-20-21(13-17)32-15-31-20)33-22(28)11-12-26-24(30)18-6-8-19(9-7-18)25(2,3)4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,26,30)(H,27,29)