ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; 2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid

Systemtic Name: ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; 2-(3-fluoranyl-4-phenyl-phenyl)propanoic acid Openeye Name: ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; 2-(3-fluoro-4-phenyl-phenyl)propanoic acid CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid; 1-methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-phenylpiperidine-4-carboxylate; 2-(3-fluoro-4-phenylphenyl)propanoic acid Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid; 1-methyl-4-phenyl-isonipecotic acid ethyl ester Formula: C30H34FNO4 MolecularWeight: 491.593663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FO2.C15H21NO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h2-10H,1H3,(H,17,18);4-8H,3,9-12H2,1-2H3