(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]pipecolinamide Formula: C29H46N4O3 MolecularWeight: 498.70054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCC4CCC(CC4)CN)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C

InChI

InChI=1S/C29H46N4O3/c1-21-6-3-4-7-25(21)19-32(20-27-8-5-15-36-27)26-13-14-33(22(2)34)28(16-26)29(35)31-18-24-11-9-23(17-30)10-12-24/h3-4,6-7,23-24,26-28H,5,8-20,30H2,1-2H3,(H,31,35)/t23?,24?,26?,27?,28-/m1/s1