2-[3-[4-[3-[(7-chloranylquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]ethanoic acid

Systemtic Name: 2-[3-[4-[3-[(7-chloranylquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]ethanoic acid Openeye Name: 2-[3-[4-[3-[(7-chloro-4-quinolyl)amino]propyl]piperazin-1-yl]propylamino]acetic acid CAS Name: 2-[3-[4-[3-[(7-chloro-4-quinolinyl)amino]propyl]-1-piperazinyl]propylamino]acetic acid IUPAC Name: 2-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propylamino]acetic acid Traditional Name: 2-[3-[4-[3-[(7-chloro-4-quinolyl)amino]propyl]piperazino]propylamino]acetic acid Formula: C21H30ClN5O2 MolecularWeight: 419.9482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNCC(=O)O)CCCNC2=C3C=CC(=CC3=NC=C2)Cl

Isomeric SMILES

C1CN(CCN1CCCNCC(=O)O)CCCNC2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C21H30ClN5O2/c22-17-3-4-18-19(5-8-25-20(18)15-17)24-7-2-10-27-13-11-26(12-14-27)9-1-6-23-16-21(28)29/h3-5,8,15,23H,1-2,6-7,9-14,16H2,(H,24,25)(H,28,29)