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

Systemtic Name: 2-(6-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid CAS Name: 2-(6-acetamido-1H-indol-3-yl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-acetamido-1H-indol-3-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazino]acetic acid Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O3/c1-15-24(29-21-6-4-3-5-20(21)27-15)31-11-9-30(10-12-31)23(25(33)34)19-14-26-22-13-17(28-16(2)32)7-8-18(19)22/h3-8,13-14,23,26H,9-12H2,1-2H3,(H,28,32)(H,33,34)