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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,4-dichlorophenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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