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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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