1-[(5-bromanyl-2-methoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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