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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]pipecolinic acid Formula: C21H23ClFNO4 MolecularWeight: 407.863023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2)OC)F)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H23ClFNO4/c1-27-18-9-7-14(22)12-15(18)20(13-6-8-19(28-2)16(23)11-13)24-10-4-3-5-17(24)21(25)26/h6-9,11-12,17,20H,3-5,10H2,1-2H3,(H,25,26)