[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-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] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN2O3 MolecularWeight: 362.85052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C19H23ClN2O3/c1-10(18(23)22-16-3-2-15(20)9-21-16)25-19(24)17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9-14,17H,4-8H2,1H3,(H,21,22,23)/t10-,11?,12?,13?,14?,17?/m1/s1