(5S,7R)-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(p-tolyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-(4-methylphenyl)-N-[[(2S)-2-oxolanyl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(p-tolyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]adamantane-1-carboxamide Formula: C23H31NO2 MolecularWeight: 353.49774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NCC5CCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NC[C@@H]5CCCO5

InChI

InChI=1S/C23H31NO2/c1-16-4-6-19(7-5-16)22-10-17-9-18(11-22)13-23(12-17,15-22)21(25)24-14-20-3-2-8-26-20/h4-7,17-18,20H,2-3,8-15H2,1H3,(H,24,25)/t17-,18+,20-,22?,23?/m0/s1