1-[(5-chloranyl-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]isonipecotic acid Formula: C21H23ClFNO3 MolecularWeight: 391.863623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H23ClFNO3/c1-2-27-19-7-6-16(22)13-18(19)20(15-4-3-5-17(23)12-15)24-10-8-14(9-11-24)21(25)26/h3-7,12-14,20H,2,8-11H2,1H3,(H,25,26)