[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(5-phenyltetrazol-2-yl)acetate CAS Name: 2-(5-phenyl-2-tetrazolyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate Traditional Name: 2-(5-phenyltetrazol-2-yl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4N=C(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CN4N=C(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H25N5O3/c27-18(22-21-9-14-6-15(10-21)8-16(7-14)11-21)13-29-19(28)12-26-24-20(23-25-26)17-4-2-1-3-5-17/h1-5,14-16H,6-13H2,(H,22,27)