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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-m-phenetyl-methyl]isonipecotic acid Formula: C21H23Cl2NO3 MolecularWeight: 408.31822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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