1-[(5-chloranyl-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-methoxyphenyl)methyl]pipecolinic acid Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24ClNO4/c1-26-16-9-6-14(7-10-16)20(17-13-15(22)8-11-19(17)27-2)23-12-4-3-5-18(23)21(24)25/h6-11,13,18,20H,3-5,12H2,1-2H3,(H,24,25)