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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3/c1-3-4-23-15(20-21-22-23)10-26-16(25)17-6-13-5-14(7-17)9-18(8-13,11-17)19-12(2)24/h13-14H,3-11H2,1-2H3,(H,19,24)/t13-,14+,17?,18?