4-[(2-methylphenyl)methyl]-1-[2-[3-(naphthalen-2-ylmethyl)imidazol-4-yl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-methylphenyl)methyl]-1-[2-[3-(naphthalen-2-ylmethyl)imidazol-4-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(2-naphthylmethyl)imidazol-4-yl]acetyl]-4-(o-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 4-[(2-methylphenyl)methyl]-1-[2-[3-(2-naphthalenylmethyl)-4-imidazolyl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-methylphenyl)methyl]-1-[2-[3-(naphthalen-2-ylmethyl)imidazol-4-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 4-(2-methylbenzyl)-1-[2-[3-(2-naphthylmethyl)imidazol-4-yl]acetyl]isonipecotic acid Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)CC3=CN=CN3CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)CC3=CN=CN3CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C30H31N3O3/c1-22-6-2-3-9-26(22)18-30(29(35)36)12-14-32(15-13-30)28(34)17-27-19-31-21-33(27)20-23-10-11-24-7-4-5-8-25(24)16-23/h2-11,16,19,21H,12-15,17-18,20H2,1H3,(H,35,36)