1-[(5-bromanyl-2-ethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(1-naphthyl)methyl]pipecolinic acid Formula: C25H26BrNO3 MolecularWeight: 468.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

InChI=1S/C25H26BrNO3/c1-2-30-23-14-13-18(26)16-21(23)24(27-15-6-5-12-22(27)25(28)29)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,13-14,16,22,24H,2,5-6,12,15H2,1H3,(H,28,29)