[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H29NO4/c1-3-23(18-7-5-4-6-8-18)19(24)15(2)27-20(25)21-10-16-9-17(11-21)13-22(26,12-16)14-21/h4-8,15-17,26H,3,9-14H2,1-2H3/t15-,16-,17+,21?,22?/m0/s1