2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-methylol-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazino]acetic acid Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CNC5=C4C=CC(=C5)CO)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CNC5=C4C=CC(=C5)CO)C(=O)O

InChI

InChI=1S/C24H25N5O3/c1-15-23(27-20-5-3-2-4-19(20)26-15)29-10-8-28(9-11-29)22(24(31)32)18-13-25-21-12-16(14-30)6-7-17(18)21/h2-7,12-13,22,25,30H,8-11,14H2,1H3,(H,31,32)