[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(1-adamantylcarbonylamino)butanoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid [4-(tetrazol-1-yl)phenyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OC4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OC4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C22H27N5O3/c28-20(30-19-5-3-18(4-6-19)27-14-24-25-26-27)2-1-7-23-21(29)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-6,14-17H,1-2,7-13H2,(H,23,29)