N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide CAS Name: 2-(3-benzoylphenyl)propanoic acid; N-(1-phenethyl-4-piperidinyl)-N-phenylpropanamide IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide Traditional Name: 2-(3-benzoylphenyl)propionic acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propionamide Formula: C38H42N2O4 MolecularWeight: 590.75108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N2O.C16H14O3/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h3-12,21H,2,13-18H2,1H3;2-11H,1H3,(H,18,19)