ethyl (2R)-2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]propanoate

Systemtic Name: ethyl (2R)-2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]propanoate Openeye Name: ethyl (2R)-2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]propionic acid ethyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)[C@@H](C)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H31NO3/c1-4-27-20(25)16(3)24-21(26)23-12-17-9-18(13-23)11-22(10-17,14-23)19-7-5-15(2)6-8-19/h5-8,16-18H,4,9-14H2,1-3H3,(H,24,26)/t16-,17-,18+,22?,23?/m1/s1