(2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[o-tolylmethyl(phenethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]pipecolinamide Formula: C30H42N4O2 MolecularWeight: 490.68008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C

InChI

InChI=1S/C30H42N4O2/c1-22-8-6-7-11-25(22)21-33(18-16-24-9-4-3-5-10-24)28-17-19-34(23(2)35)29(20-28)30(36)32-27-14-12-26(31)13-15-27/h3-11,26-29H,12-21,31H2,1-2H3,(H,32,36)/t26?,27?,28?,29-/m1/s1