1-[(4-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(4-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(4-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-p-phenetyl-methyl]pipecolinic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-2-26-18-12-8-16(9-13-18)20(15-6-10-17(22)11-7-15)23-14-4-3-5-19(23)21(24)25/h6-13,19-20H,2-5,14H2,1H3,(H,24,25)