(2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-cyclopropylcarbonyl-4-[(4-methylphenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[phenethyl(p-tolylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[cyclopropyl(oxo)methyl]-4-[(4-methylphenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-methylphenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-methylbenzyl)-phenethyl-amino]pipecolinamide Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4CC4

InChI

InChI=1S/C28H38N4O2/c1-21-7-9-23(10-8-21)20-31(17-13-22-5-3-2-4-6-22)25-14-18-32(28(34)24-11-12-24)26(19-25)27(33)30-16-15-29/h2-10,24-26H,11-20,29H2,1H3,(H,30,33)/t25?,26-/m1/s1