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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]nipecotic acid Formula: C28H29Cl2NO4 MolecularWeight: 514.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=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/C28H29Cl2NO4/c1-2-34-26-15-20(10-13-25(26)35-18-19-7-4-3-5-8-19)27(23-12-11-22(29)16-24(23)30)31-14-6-9-21(17-31)28(32)33/h3-5,7-8,10-13,15-16,21,27H,2,6,9,14,17-18H2,1H3,(H,32,33)