(2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-1-cyclopropylcarbonyl-4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-1-[cyclopropyl(oxo)methyl]-4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[benzyl(m-anisyl)amino]-1-(cyclopropanecarbonyl)pipecolinamide Formula: C31H42N4O3 MolecularWeight: 518.69018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5CC5

InChI

InChI=1S/C31H42N4O3/c1-38-28-9-5-8-23(18-28)21-34(20-22-6-3-2-4-7-22)27-16-17-35(31(37)24-10-11-24)29(19-27)30(36)33-26-14-12-25(32)13-15-26/h2-9,18,24-27,29H,10-17,19-21,32H2,1H3,(H,33,36)/t25?,26?,27?,29-/m1/s1