1-[(5-chloranyl-2-methoxy-phenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C23H28ClNO6 MolecularWeight: 449.92452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H28ClNO6/c1-28-18-7-5-15(24)13-17(18)20(25-11-9-14(10-12-25)23(26)27)16-6-8-19(29-2)22(31-4)21(16)30-3/h5-8,13-14,20H,9-12H2,1-4H3,(H,26,27)