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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

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