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

Systemtic Name: methyl 4-[[3-(5-methyl-1,2,3,4-tetrazol-2-yl)-1-adamantyl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C21H25N5O3/c1-13-23-25-26(24-13)21-10-14-7-15(11-21)9-20(8-14,12-21)19(28)22-17-5-3-16(4-6-17)18(27)29-2/h3-6,14-15H,7-12H2,1-2H3,(H,22,28)