ethyl 4-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: ethyl 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoate CAS Name: 4-[5-(2-amino-2-adamantyl)-1-tetrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoic acid ethyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

InChI

InChI=1S/C20H25N5O2/c1-2-27-18(26)14-3-5-17(6-4-14)25-19(22-23-24-25)20(21)15-8-12-7-13(10-15)11-16(20)9-12/h3-6,12-13,15-16H,2,7-11,21H2,1H3