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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-27-15-8-9-16(20(13-15)29-3)21(17-12-14(23)7-10-19(17)28-2)24-11-5-4-6-18(24)22(25)26/h7-10,12-13,18,21H,4-6,11H2,1-3H3,(H,25,26)