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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-(4-methylphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-(4-methylbenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[p-anisyl(phenethyl)amino]-1-p-toluoyl-pipecolinamide Formula: C36H46N4O3 MolecularWeight: 582.77544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)OC

InChI

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