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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO3/c1-4-28-21-6-5-19(24)14-20(21)22(18-12-15(2)11-16(3)13-18)25-9-7-17(8-10-25)23(26)27/h5-6,11-14,17,22H,4,7-10H2,1-3H3,(H,26,27)