1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C25H23Cl2NO3 MolecularWeight: 456.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H23Cl2NO3/c26-21-13-12-18(16-22(21)27)24(28-14-5-4-11-23(28)25(29)30)17-7-6-10-20(15-17)31-19-8-2-1-3-9-19/h1-3,6-10,12-13,15-16,23-24H,4-5,11,14H2,(H,29,30)