[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxycarbonylanilino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(2-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H24ClNO5/c1-27-18(25)15-4-2-3-5-16(15)23-17(24)11-28-19(26)20-7-13-6-14(8-20)10-21(22,9-13)12-20/h2-5,13-14H,6-12H2,1H3,(H,23,24)/t13-,14+,20?,21?