[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C22H29N5O3/c28-21(27(19-7-3-1-4-8-19)20-9-5-2-6-10-20)15-30-22(29)17-11-13-18(14-12-17)26-16-23-24-25-26/h11-14,16,19-20H,1-10,15H2