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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic 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=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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