(3-methoxycarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C22H27NO5/c1-14(24)23-22-10-16-6-17(11-22)9-21(8-16,13-22)20(26)28-12-15-4-3-5-18(7-15)19(25)27-2/h3-5,7,16-17H,6,8-13H2,1-2H3,(H,23,24)/t16-,17+,21?,22?