6-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate

Systemtic Name: 6-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Openeye Name: 6-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate CAS Name: 6-[3-[[[(4-ethoxycarbonylanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate IUPAC Name: 6-[3-[[(4-ethoxycarbonylphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Traditional Name: 6-[3-[[(4-carbethoxyphenyl)carbamoylamino]methyl]pyrrol-1-yl]-2-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Formula: C26H20F3N4O6- MolecularWeight: 541.45541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C26H21F3N4O6/c1-2-39-24(37)15-3-5-17(6-4-15)31-25(38)30-12-14-7-8-33(13-14)21-10-16-9-18(23(35)36)22(34)32-20(16)11-19(21)26(27,28)29/h3-11,13H,2,12H2,1H3,(H,32,34)(H,35,36)(H2,30,31,38)/p-1