2-oxidanyl-2-phenyl-ethanoic acid; N-(piperidin-3-ylmethyl)benzamide

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; N-(piperidin-3-ylmethyl)benzamide Openeye Name: 2-hydroxy-2-phenyl-acetic acid; N-(3-piperidylmethyl)benzamide CAS Name: 2-hydroxy-2-phenylacetic acid; N-(3-piperidinylmethyl)benzamide IUPAC Name: 2-hydroxy-2-phenylacetic acid; N-(piperidin-3-ylmethyl)benzamide Traditional Name: madelic acid; N-(3-piperidylmethyl)benzamide Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CNC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1CC(CNC1)CNC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C13H18N2O.C8H8O3/c16-13(12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6-7,11,14H,4-5,8-10H2,(H,15,16);1-5,7,9H,(H,10,11)