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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCCCC4C(=O)O

InChI

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