ethyl 2-[[2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-2-adamantyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-2-adamantyl]amino]ethanoate Openeye Name: ethyl 2-[[2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-2-adamantyl]amino]acetate CAS Name: 2-[[2-[1-(2-ethyl-6-methylphenyl)-5-tetrazolyl]-2-adamantyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-2-adamantyl]amino]acetate Traditional Name: 2-[[2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-2-adamantyl]amino]acetic acid ethyl ester Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NCC(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NCC(=O)OCC)C

InChI

InChI=1S/C24H33N5O2/c1-4-18-8-6-7-15(3)22(18)29-23(26-27-28-29)24(25-14-21(30)31-5-2)19-10-16-9-17(12-19)13-20(24)11-16/h6-8,16-17,19-20,25H,4-5,9-14H2,1-3H3