1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]isonipecotic acid Formula: C23H27Cl2NO4 MolecularWeight: 452.37078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27Cl2NO4/c1-3-29-20-8-5-16(13-21(20)30-4-2)22(18-7-6-17(24)14-19(18)25)26-11-9-15(10-12-26)23(27)28/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,27,28)