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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H25NO6/c1-14(24-21(26)15-5-8-17(9-6-15)23(2,3)4)22(27)28-12-18(25)16-7-10-19-20(11-16)30-13-29-19/h5-11,14H,12-13H2,1-4H3,(H,24,26)/t14-/m0/s1