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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C26H25Cl2NO3 MolecularWeight: 470.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H25Cl2NO3/c27-20-12-13-21(23(28)15-20)25(29-14-6-9-19(16-29)26(30)31)22-10-4-5-11-24(22)32-17-18-7-2-1-3-8-18/h1-5,7-8,10-13,15,19,25H,6,9,14,16-17H2,(H,30,31)