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1-adamantylmethyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate

1-adamantylmethyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name:1-adamantylmethyl 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate
Openeye Name:1-adamantylmethyl 4-(2H-tetrazol-5-yl)benzoate
CAS Name:4-(2H-tetrazol-5-yl)benzoic acid 1-adamantylmethyl ester
IUPAC Name:1-adamantylmethyl 4-(2H-tetrazol-5-yl)benzoate
Traditional Name:4-(2H-tetrazol-5-yl)benzoic acid 1-adamantylmethyl ester
Formula: C19H22N4O2
MolecularWeight: 338.40358
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)C5=NNN=N5


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)C5=NNN=N5


InChI

InChI=1S/C19H22N4O2/c24-18(16-3-1-15(2-4-16)17-20-22-23-21-17)25-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21,22,23)


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