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

Systemtic Name: ethyl 4-[[3-(5-methyl-1,2,3,4-tetrazol-2-yl)-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[3-(5-methyl-2-tetrazolyl)-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[3-(5-methyltetrazol-2-yl)adamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

InChI

InChI=1S/C22H27N5O3/c1-3-30-19(28)17-4-6-18(7-5-17)23-20(29)21-9-15-8-16(10-21)12-22(11-15,13-21)27-25-14(2)24-26-27/h4-7,15-16H,3,8-13H2,1-2H3,(H,23,29)