2-[2-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]carbonylphenyl]ethanoic acid

Systemtic Name: 2-[2-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]carbonylphenyl]ethanoic acid Openeye Name: 2-[2-[4-[2-(4-bromophenyl)acetyl]piperazine-1-carbonyl]phenyl]acetic acid CAS Name: 2-[2-[[4-[2-(4-bromophenyl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]phenyl]acetic acid IUPAC Name: 2-[2-[4-[2-(4-bromophenyl)acetyl]piperazine-1-carbonyl]phenyl]acetic acid Traditional Name: 2-[2-[4-[2-(4-bromophenyl)acetyl]piperazine-1-carbonyl]phenyl]acetic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3CC(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C21H21BrN2O4/c22-17-7-5-15(6-8-17)13-19(25)23-9-11-24(12-10-23)21(28)18-4-2-1-3-16(18)14-20(26)27/h1-8H,9-14H2,(H,26,27)