dimethyl 2-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[5-(2-azanyl-2-adamantyl)-1,2,3,4-tetrazol-1-yl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzene-1,4-dicarboxylate CAS Name: 2-[5-(2-amino-2-adamantyl)-1-tetrazolyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzene-1,4-dicarboxylate Traditional Name: 2-[5-(2-amino-2-adamantyl)tetrazol-1-yl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)N

InChI

InChI=1S/C21H25N5O4/c1-29-18(27)13-3-4-16(19(28)30-2)17(10-13)26-20(23-24-25-26)21(22)14-6-11-5-12(8-14)9-15(21)7-11/h3-4,10-12,14-15H,5-9,22H2,1-2H3