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

Systemtic Name: methyl 2-butyl-4-(phenylmethyl)-1-[[3-(phenylmethyl)imidazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 4-benzyl-1-[(3-benzylimidazol-4-yl)methyl]-2-butyl-piperidine-4-carboxylate CAS Name: 2-butyl-4-(phenylmethyl)-1-[[3-(phenylmethyl)-4-imidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-1-[(3-benzylimidazol-4-yl)methyl]-2-butylpiperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(3-benzylimidazol-4-yl)methyl]-2-butyl-isonipecotic acid methyl ester Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCN1CC2=CN=CN2CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCC1CC(CCN1CC2=CN=CN2CC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H37N3O2/c1-3-4-15-26-19-29(28(33)34-2,18-24-11-7-5-8-12-24)16-17-31(26)22-27-20-30-23-32(27)21-25-13-9-6-10-14-25/h5-14,20,23,26H,3-4,15-19,21-22H2,1-2H3