2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(4-methyl-2-quinolyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(4-methyl-2-quinolinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-methylol-1H-indol-3-yl)-2-[4-(4-methyl-2-quinolyl)piperazino]acetic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C(C4=CNC5=C4C=C(C=C5)CO)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C(C4=CNC5=C4C=C(C=C5)CO)C(=O)O

InChI

InChI=1S/C25H26N4O3/c1-16-12-23(27-22-5-3-2-4-18(16)22)28-8-10-29(11-9-28)24(25(31)32)20-14-26-21-7-6-17(15-30)13-19(20)21/h2-7,12-14,24,26,30H,8-11,15H2,1H3,(H,31,32)