1-[(5-bromanyl-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]pipecolinic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-27-17-11-10-14(23)13-15(17)21(24-12-5-4-7-16(24)22(25)26)20-18(28-2)8-6-9-19(20)29-3/h6,8-11,13,16,21H,4-5,7,12H2,1-3H3,(H,25,26)