2-(6-chloranyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-chloranyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-chloro-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN4O2/c22-16-1-2-17-18(14-24-19(17)13-16)20(21(27)28)26-11-9-25(10-12-26)8-5-15-3-6-23-7-4-15/h1-4,6-7,13-14,20,24H,5,8-12H2,(H,27,28)