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

Systemtic Name: methyl 3-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 3-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoate CAS Name: 3-[5-(2-amino-2-adamantyl)-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoate Traditional Name: 3-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzoic acid methyl ester Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-26-17(25)13-3-2-4-16(10-13)24-18(21-22-23-24)19(20)14-6-11-5-12(8-14)9-15(19)7-11/h2-4,10-12,14-15H,5-9,20H2,1H3