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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C23H26N4O4/c28-21(29)16-27-15-19(18-3-1-2-4-20(18)27)22(23(30)31)26-13-11-25(12-14-26)10-7-17-5-8-24-9-6-17/h1-6,8-9,15,22H,7,10-14,16H2,(H,28,29)(H,30,31)