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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C22H28N4O2/c1-2-8-26-19(23-24-25-26)14-28-20(27)22-12-16-9-17(13-22)11-21(10-16,15-22)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3/t16-,17+,21?,22?