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

Systemtic Name: 4-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-(m-tolylmethyl)tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-[(3-methylphenyl)methyl]-5-tetrazolyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-[(3-methylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-(3-methylbenzyl)tetrazol-5-yl]-4-phenyl-piperidine-1-carboxylic acid Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2N=C(N=N2)C3(CCN(CC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2N=C(N=N2)C3(CCN(CC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-16-6-5-7-17(14-16)15-26-23-19(22-24-26)21(18-8-3-2-4-9-18)10-12-25(13-11-21)20(27)28/h2-9,14H,10-13,15H2,1H3,(H,27,28)