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

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN2O4 MolecularWeight: 378.84992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H23ClN2O4/c1-11(16(23)22-15-3-2-14(20)9-21-15)26-17(24)18-5-12-4-13(6-18)8-19(25,7-12)10-18/h2-3,9,11-13,25H,4-8,10H2,1H3,(H,21,22,23)/t11-,12-,13+,18?,19?/m1/s1