[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C18H25N5O3 MolecularWeight: 359.4228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

InChI

InChI=1S/C18H25N5O3/c1-13(2)6-4-7-14(3)20-17(24)11-26-18(25)15-8-5-9-16(10-15)23-12-19-21-22-23/h5,8-10,12-14H,4,6-7,11H2,1-3H3,(H,20,24)