(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H25N5O3/c1-14(27)22-21-10-15-7-16(11-21)9-20(8-15,13-21)19(28)29-12-18-23-24-25-26(18)17-5-3-2-4-6-17/h2-6,15-16H,7-13H2,1H3,(H,22,27)/t15-,16+,20?,21?