2-[7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethanoic acid

Systemtic Name: 2-[7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]ethanoic acid Openeye Name: 2-[7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid CAS Name: 2-[7-[3-[[[(4-ethoxycarbonylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid IUPAC Name: 2-[7-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid Traditional Name: 2-[7-[3-[[(4-carbethoxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]acetic acid Formula: C26H22F3N5O7 MolecularWeight: 573.47739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=O)N4CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=O)N4CC(=O)O

InChI

InChI=1S/C26H22F3N5O7/c1-2-41-24(39)15-3-5-16(6-4-15)31-25(40)30-11-14-7-8-33(12-14)19-10-20-18(9-17(19)26(27,28)29)32-22(37)23(38)34(20)13-21(35)36/h3-10,12H,2,11,13H2,1H3,(H,32,37)(H,35,36)(H2,30,31,40)