[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NO6/c1-13(24-22(27)23-8-14-4-15(9-23)6-16(5-14)10-23)21(26)28-11-18(25)17-2-3-19-20(7-17)30-12-29-19/h2-3,7,13-16H,4-6,8-12H2,1H3,(H,24,27)/t13-,14?,15?,16?,23?/m0/s1