1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-m-phenetyl-methyl]pipecolinic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO3/c1-2-26-18-7-5-6-16(14-18)20(15-9-11-17(22)12-10-15)23-13-4-3-8-19(23)21(24)25/h5-7,9-12,14,19-20H,2-4,8,13H2,1H3,(H,24,25)