2-diethylaminoethyl 4-[[1-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]cyclohexyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[1-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]cyclohexyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate CAS Name: 4-[[1-[1-(2,6-dimethylphenyl)-5-tetrazolyl]cyclohexyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate Traditional Name: 4-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C28H38N6O2 MolecularWeight: 490.64032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2(CCCCC2)C3=NN=NN3C4=C(C=CC=C4C)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2(CCCCC2)C3=NN=NN3C4=C(C=CC=C4C)C

InChI

InChI=1S/C28H38N6O2/c1-5-33(6-2)19-20-36-26(35)23-13-15-24(16-14-23)29-28(17-8-7-9-18-28)27-30-31-32-34(27)25-21(3)11-10-12-22(25)4/h10-16,29H,5-9,17-20H2,1-4H3