1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3,4-diethoxyphenyl)methyl]nipecotic acid Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-3-28-20-12-9-17(14-21(20)29-4-2)22(16-7-10-19(24)11-8-16)25-13-5-6-18(15-25)23(26)27/h7-12,14,18,22H,3-6,13,15H2,1-2H3,(H,26,27)