[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C18H19ClN4O2/c19-18-8-12-5-13(9-18)7-17(6-12,10-18)16(24)25-15-3-1-14(2-4-15)23-11-20-21-22-23/h1-4,11-13H,5-10H2