ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate CAS Name: 2-(3-benzoylphenyl)propanoic acid; 1-methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; ethyl 1-methyl-4-phenylpiperidine-4-carboxylate Traditional Name: 2-(3-benzoylphenyl)propionic acid; 1-methyl-4-phenyl-isonipecotic acid ethyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H14O3.C15H21NO2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h2-11H,1H3,(H,18,19);4-8H,3,9-12H2,1-2H3