2-butyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: 2-butyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: 2-butyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(m-tolylmethyl)piperidine-4-carboxylate CAS Name: 2-butyl-1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-[(3-methylphenyl)methyl]-4-piperidinecarboxylate IUPAC Name: 2-butyl-1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 2-butyl-1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-4-(3-methylbenzyl)isonipecotate Formula: C30H35N4O2- MolecularWeight: 483.6245

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)(CC4=CC=CC(=C4)C)C(=O)[O-]

Isomeric SMILES

CCCCC1CC(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)(CC4=CC=CC(=C4)C)C(=O)[O-]

InChI

InChI=1S/C30H36N4O2/c1-3-4-8-27-17-30(29(35)36,16-26-7-5-6-23(2)15-26)13-14-33(27)21-28-19-32-22-34(28)20-25-11-9-24(18-31)10-12-25/h5-7,9-12,15,19,22,27H,3-4,8,13-14,16-17,20-21H2,1-2H3,(H,35,36)/p-1