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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(4-methoxyphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[p-anisyl(phenethyl)amino]pipecolinamide Formula: C30H42N4O3 MolecularWeight: 506.67948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H42N4O3/c1-22(35)34-19-17-27(20-29(34)30(36)32-26-12-10-25(31)11-13-26)33(18-16-23-6-4-3-5-7-23)21-24-8-14-28(37-2)15-9-24/h3-9,14-15,25-27,29H,10-13,16-21,31H2,1-2H3,(H,32,36)/t25?,26?,27?,29-/m1/s1