(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(1-adamantylcarbonylamino)benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N5O3/c1-2-7-28-20(25-26-27-28)14-31-21(29)18-3-5-19(6-4-18)24-22(30)23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,30)