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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

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