[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H26ClNO4/c1-13(18(24)23-16-5-3-4-6-17(16)26-2)27-19(25)20-8-14-7-15(9-20)11-21(22,10-14)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,23,24)/t13-,14-,15+,20?,21?/m1/s1