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

Systemtic Name: 1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-o-phenetyl-methyl]nipecotic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H24ClNO3/c1-2-26-19-8-4-3-7-18(19)20(15-9-11-17(22)12-10-15)23-13-5-6-16(14-23)21(24)25/h3-4,7-12,16,20H,2,5-6,13-14H2,1H3,(H,24,25)