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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

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