methyl 4-phenyl-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]carbonyl-piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-(tetrazol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-(1-tetrazolyl)phenyl]methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[3-(tetrazol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-(tetrazol-1-yl)benzoyl]isonipecotic acid methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-29-20(28)21(17-7-3-2-4-8-17)10-12-25(13-11-21)19(27)16-6-5-9-18(14-16)26-15-22-23-24-26/h2-9,14-15H,10-13H2,1H3