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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(3,4-diethoxyphenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C23H27Cl2NO4/c1-3-29-20-10-7-15(12-21(20)30-4-2)22(18-9-8-17(24)13-19(18)25)26-11-5-6-16(14-26)23(27)28/h7-10,12-13,16,22H,3-6,11,14H2,1-2H3,(H,27,28)