11-[5-[[(4-bromophenyl)methylamino]-cyclohexyl-methyl]-1,2,3,4-tetrazol-1-yl]undecanoic acid

Systemtic Name: 11-[5-[[(4-bromophenyl)methylamino]-cyclohexyl-methyl]-1,2,3,4-tetrazol-1-yl]undecanoic acid Openeye Name: 11-[5-[[(4-bromophenyl)methylamino]-cyclohexyl-methyl]tetrazol-1-yl]undecanoic acid CAS Name: 11-[5-[[(4-bromophenyl)methylamino]-cyclohexylmethyl]-1-tetrazolyl]undecanoic acid IUPAC Name: 11-[5-[[(4-bromophenyl)methylamino]-cyclohexylmethyl]tetrazol-1-yl]undecanoic acid Traditional Name: 11-[5-[[(4-bromobenzyl)amino]-cyclohexyl-methyl]tetrazol-1-yl]undecanoic acid Formula: C26H40BrN5O2 MolecularWeight: 534.5321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=NN=NN2CCCCCCCCCCC(=O)O)NCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)C(C2=NN=NN2CCCCCCCCCCC(=O)O)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H40BrN5O2/c27-23-17-15-21(16-18-23)20-28-25(22-12-8-7-9-13-22)26-29-30-31-32(26)19-11-6-4-2-1-3-5-10-14-24(33)34/h15-18,22,25,28H,1-14,19-20H2,(H,33,34)