1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C28H29Cl2NO5 MolecularWeight: 530.43956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H29Cl2NO5/c1-34-24-13-20(14-25(35-2)27(24)36-17-18-7-4-3-5-8-18)26(22-11-10-21(29)15-23(22)30)31-12-6-9-19(16-31)28(32)33/h3-5,7-8,10-11,13-15,19,26H,6,9,12,16-17H2,1-2H3,(H,32,33)