1-[(5-bromanyl-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H26BrNO5/c1-27-16-5-6-17(20(13-16)29-3)21(18-12-15(23)4-7-19(18)28-2)24-10-8-14(9-11-24)22(25)26/h4-7,12-14,21H,8-11H2,1-3H3,(H,25,26)