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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3/c1-4-29-21-12-9-18(24)14-20(21)22(16-7-10-19(11-8-16)25(2)3)26-13-5-6-17(15-26)23(27)28/h7-12,14,17,22H,4-6,13,15H2,1-3H3,(H,27,28)