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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

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