(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O2/c22-17-9-7-8-16(14-17)21(12-5-2-6-13-21)20(27)28-15-19-23-24-25-26(19)18-10-3-1-4-11-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2