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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C26H26ClNO4/c1-31-24-14-13-19(27)17-22(24)25(28-15-6-5-12-23(28)26(29)30)18-8-7-11-21(16-18)32-20-9-3-2-4-10-20/h2-4,7-11,13-14,16-17,23,25H,5-6,12,15H2,1H3,(H,29,30)