4-[[6-chloranyl-8-methyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid

Systemtic Name: 4-[[6-chloranyl-8-methyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid Openeye Name: 4-[[6-chloro-4-(2-hydroxy-2-oxo-1-phenyl-ethoxy)-8-methyl-quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid CAS Name: 4-[[[6-chloro-4-(2-hydroxy-2-oxo-1-phenylethoxy)-8-methyl-2-quinolinyl]-oxomethyl]amino]-2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]butanoic acid IUPAC Name: 4-[[6-chloro-4-(2-hydroxy-2-oxo-1-phenylethoxy)-8-methylquinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[6-chloro-4-(2-hydroxy-2-keto-1-phenyl-ethoxy)-8-methyl-quinoline-2-carbonyl]amino]butyric acid Formula: C31H33ClN4O9 MolecularWeight: 641.06812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=C(C=C3C(=C2)OC(C4=CC=CC=C4)C(=O)O)Cl)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=C(C=C3C(=C2)OC(C4=CC=CC=C4)C(=O)O)Cl)C)C(=O)O

InChI

InChI=1S/C31H33ClN4O9/c1-3-44-31(43)36-13-11-35(12-14-36)28(38)21(29(39)40)9-10-33-27(37)23-17-24(22-16-20(32)15-18(2)25(22)34-23)45-26(30(41)42)19-7-5-4-6-8-19/h4-8,15-17,21,26H,3,9-14H2,1-2H3,(H,33,37)(H,39,40)(H,41,42)