(2-chloranylquinolin-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C23H25ClN2O3/c1-14(27)26-23-10-15-6-16(11-23)9-22(8-15,13-23)21(28)29-12-18-7-17-4-2-3-5-19(17)25-20(18)24/h2-5,7,15-16H,6,8-13H2,1H3,(H,26,27)/t15-,16+,22?,23?