1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]nipecotic acid Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

InChI

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