[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H28N2O6/c1-14(2)21(26-23(28)18-8-5-15(3)6-9-18)24(29)32-16(4)22(27)25-12-17-7-10-19-20(11-17)31-13-30-19/h5-11,14,16,21H,12-13H2,1-4H3,(H,25,27)(H,26,28)/t16?,21-/m0/s1