[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C

InChI

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