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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]pipecolinic 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=C2)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C(=CC=C2)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C23H28BrNO5/c1-4-30-19-12-11-15(24)14-17(19)21(25-13-6-5-9-18(25)23(26)27)16-8-7-10-20(28-2)22(16)29-3/h7-8,10-12,14,18,21H,4-6,9,13H2,1-3H3,(H,26,27)