(2R)-N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[o-tolylmethyl(phenethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(2-methylphenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-1-m-anisoyl-4-[(2-methylbenzyl)-phenethyl-amino]pipecolinamide Formula: C36H46N4O3 MolecularWeight: 582.77544

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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)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C36H46N4O3/c1-26-9-6-7-12-29(26)25-39(21-19-27-10-4-3-5-11-27)32-20-22-40(36(42)28-13-8-14-33(23-28)43-2)34(24-32)35(41)38-31-17-15-30(37)16-18-31/h3-14,23,30-32,34H,15-22,24-25,37H2,1-2H3,(H,38,41)/t30?,31?,32?,34-/m1/s1