3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]quinolin-4-yl]oxybenzoic acid; 2,2,2-tris(fluoranyl)ethane-1,1-diol

Systemtic Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxidanylidene-butyl]carbamoyl]quinolin-4-yl]oxybenzoic acid; 2,2,2-tris(fluoranyl)ethane-1,1-diol Openeye Name: 3-[[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-butyl]carbamoyl]-4-quinolyl]oxy]benzoic acid; 2,2,2-trifluoroethane-1,1-diol CAS Name: 3-[[2-[[[3-carboxy-4-(4-ethoxycarbonyl-1-piperazinyl)-4-oxobutyl]amino]-oxomethyl]-4-quinolinyl]oxy]benzoic acid; 2,2,2-trifluoroethane-1,1-diol IUPAC Name: 3-[2-[[3-carboxy-4-(4-ethoxycarbonylpiperazin-1-yl)-4-oxobutyl]carbamoyl]quinolin-4-yl]oxybenzoic acid; 2,2,2-trifluoroethane-1,1-diol Traditional Name: 3-[[2-[[3-(4-carbethoxypiperazine-1-carbonyl)-4-hydroxy-4-keto-butyl]carbamoyl]-4-quinolyl]oxy]benzoic acid; 2,2,2-trifluoroethane-1,1-diol Formula: C31H33F3N4O11 MolecularWeight: 694.60913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OC4=CC=CC(=C4)C(=O)O)C(=O)O.C(C(F)(F)F)(O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC=CC=C3C(=C2)OC4=CC=CC(=C4)C(=O)O)C(=O)O.C(C(F)(F)F)(O)O

InChI

InChI=1S/C29H30N4O9.C2H3F3O2/c1-2-41-29(40)33-14-12-32(13-15-33)26(35)21(28(38)39)10-11-30-25(34)23-17-24(20-8-3-4-9-22(20)31-23)42-19-7-5-6-18(16-19)27(36)37;3-2(4,5)1(6)7/h3-9,16-17,21H,2,10-15H2,1H3,(H,30,34)(H,36,37)(H,38,39);1,6-7H