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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2NC(=O)C3CCCCC3)OC)OC

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2NC(=O)C3CCCCC3)OC)OC

InChI

InChI=1S/C21H29N5O5/c1-4-10-26-19(23-24-25-26)13-31-21(28)15-11-17(29-2)18(30-3)12-16(15)22-20(27)14-8-6-5-7-9-14/h11-12,14H,4-10,13H2,1-3H3,(H,22,27)