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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,3-dimethoxyphenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C(=CC=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

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