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1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(3-chlorophenyl)-(2,3-dimethoxyphenyl)methyl]nipecotic acid
Formula: C21H24ClNO4
MolecularWeight: 389.87256
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Cl)N3CCCC(C3)C(=O)O


Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)Cl)N3CCCC(C3)C(=O)O


InChI

InChI=1S/C21H24ClNO4/c1-26-18-10-4-9-17(20(18)27-2)19(14-6-3-8-16(22)12-14)23-11-5-7-15(13-23)21(24)25/h3-4,6,8-10,12,15,19H,5,7,11,13H2,1-2H3,(H,24,25)


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