1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H28BrNO5/c1-4-30-18-9-8-16(24)14-17(18)22(25-12-10-15(11-13-25)23(26)27)21-19(28-2)6-5-7-20(21)29-3/h5-9,14-15,22H,4,10-13H2,1-3H3,(H,26,27)