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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-fluoro-4-methoxy-phenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C=C2)OC)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H23ClFNO4/c1-27-18-8-6-15(22)11-16(18)20(13-5-7-19(28-2)17(23)10-13)24-9-3-4-14(12-24)21(25)26/h5-8,10-11,14,20H,3-4,9,12H2,1-2H3,(H,25,26)