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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3/c1-4-29-21-10-7-18(24)15-20(21)22(16-5-8-19(9-6-16)25(2)3)26-13-11-17(12-14-26)23(27)28/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,27,28)