N-[4-(hydroxymethyl)-1-phenethyl-piperidin-4-yl]-N-phenyl-propanamide; propanoic acid

Systemtic Name: N-[4-(hydroxymethyl)-1-phenethyl-piperidin-4-yl]-N-phenyl-propanamide; propanoic acid Openeye Name: N-[4-(hydroxymethyl)-1-phenethyl-4-piperidyl]-N-phenyl-propanamide; propionic acid CAS Name: N-[4-(hydroxymethyl)-1-phenethyl-4-piperidinyl]-N-phenylpropanamide; propanoic acid IUPAC Name: N-[4-(hydroxymethyl)-1-phenethylpiperidin-4-yl]-N-phenylpropanamide; propanoic acid Traditional Name: N-(4-methylol-1-phenethyl-4-piperidyl)-N-phenyl-propionamide; propionic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)CO.CCC(=O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)CO.CCC(=O)O

InChI

InChI=1S/C23H30N2O2.C3H6O2/c1-2-22(27)25(21-11-7-4-8-12-21)23(19-26)14-17-24(18-15-23)16-13-20-9-5-3-6-10-20;1-2-3(4)5/h3-12,26H,2,13-19H2,1H3;2H2,1H3,(H,4,5)