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

Systemtic Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-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=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-2-26-16-9-7-8-15(14-16)20(17-10-3-4-11-18(17)22)23-13-6-5-12-19(23)21(24)25/h3-4,7-11,14,19-20H,2,5-6,12-13H2,1H3,(H,24,25)