(5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO5/c1-14(22(27)30-13-20-9-19(15(2)26)4-5-21(20)29-3)25-23(28)24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,14,16-18H,6-8,10-13H2,1-3H3,(H,25,28)/t14-,16?,17?,18?,24?/m0/s1