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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C27H27Cl2NO4 MolecularWeight: 500.41358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27Cl2NO4/c1-33-25-14-19(9-12-24(25)34-17-18-6-3-2-4-7-18)26(22-11-10-21(28)15-23(22)29)30-13-5-8-20(16-30)27(31)32/h2-4,6-7,9-12,14-15,20,26H,5,8,13,16-17H2,1H3,(H,31,32)