4-[2-[(3-bromophenyl)methyl]-1,2,3,4-tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-[(3-bromophenyl)methyl]-1,2,3,4-tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-[(3-bromophenyl)methyl]tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-[(3-bromophenyl)methyl]-5-tetrazolyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-[(3-bromophenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-(3-bromobenzyl)tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C3=NN(N=N3)CC4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C3=NN(N=N3)CC4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C20H20BrN5O2/c21-17-8-4-5-15(13-17)14-26-23-18(22-24-26)20(16-6-2-1-3-7-16)9-11-25(12-10-20)19(27)28/h1-8,13H,9-12,14H2,(H,27,28)