(2E)-2-[2,3-di(pentan-3-yl)-4H-quinoxalin-1-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E)-2-[2,3-di(pentan-3-yl)-4H-quinoxalin-1-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E)-2-[2,3-bis(1-ethylpropyl)-4H-quinoxalin-1-yl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E)-2-[2,3-di(pentan-3-yl)-4H-quinoxalin-1-yl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E)-2-[2,3-di(pentan-3-yl)-4H-quinoxalin-1-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E)-2-[2,3-bis(1-ethylpropyl)-4H-quinoxalin-1-yl]-3-methyl-penta-2,4-dienoic acid Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(N(C2=CC=CC=C2N1)C(=C(C)C=C)C(=O)O)C(CC)CC

Isomeric SMILES

CCC(CC)C1=C(N(C2=CC=CC=C2N1)/C(=C(\C)/C=C)/C(=O)O)C(CC)CC

InChI

InChI=1S/C24H34N2O2/c1-7-16(6)22(24(27)28)26-20-15-13-12-14-19(20)25-21(17(8-2)9-3)23(26)18(10-4)11-5/h7,12-15,17-18,25H,1,8-11H2,2-6H3,(H,27,28)/b22-16+