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

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-4-(o-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-1-oxoethyl]-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]acetyl]-4-(2-methylbenzyl)isonipecotic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C27H28N4O3/c1-20-4-2-3-5-23(20)15-27(26(33)34)10-12-30(13-11-27)25(32)14-24-17-29-19-31(24)18-22-8-6-21(16-28)7-9-22/h2-9,17,19H,10-15,18H2,1H3,(H,33,34)