ethyl (3R)-3-(1-adamantylcarbonylamino)-3-(4-methylphenyl)propanoate

Systemtic Name: ethyl (3R)-3-(1-adamantylcarbonylamino)-3-(4-methylphenyl)propanoate Openeye Name: ethyl (3R)-3-(adamantane-1-carbonylamino)-3-(p-tolyl)propanoate CAS Name: (3R)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(adamantane-1-carbonylamino)-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-(adamantane-1-carbonylamino)-3-(p-tolyl)propionic acid ethyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-3-27-21(25)11-20(19-6-4-15(2)5-7-19)24-22(26)23-12-16-8-17(13-23)10-18(9-16)14-23/h4-7,16-18,20H,3,8-14H2,1-2H3,(H,24,26)/t16?,17?,18?,20-,23?/m1/s1