(2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-nicotinoyl-4-[p-anisyl(phenethyl)amino]pipecolinamide Formula: C30H37N5O3 MolecularWeight: 515.64648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C30H37N5O3/c1-38-27-11-9-24(10-12-27)22-34(18-13-23-6-3-2-4-7-23)26-14-19-35(28(20-26)29(36)33-17-15-31)30(37)25-8-5-16-32-21-25/h2-12,16,21,26,28H,13-15,17-20,22,31H2,1H3,(H,33,36)/t26?,28-/m1/s1