1-[(3,4-dichlorophenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(4-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-p-phenetyl-methyl]isonipecotic acid Formula: C21H23Cl2NO3 MolecularWeight: 408.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H23Cl2NO3/c1-2-27-17-6-3-14(4-7-17)20(16-5-8-18(22)19(23)13-16)24-11-9-15(10-12-24)21(25)26/h3-8,13,15,20H,2,9-12H2,1H3,(H,25,26)