4-[[7-chloranyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid

Systemtic Name: 4-[[7-chloranyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-butanoic acid Openeye Name: 4-[[7-chloro-4-(2-hydroxy-2-oxo-1-phenyl-ethoxy)quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid CAS Name: 4-[[[7-chloro-4-(2-hydroxy-2-oxo-1-phenylethoxy)-2-quinolinyl]-oxomethyl]amino]-2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]butanoic acid IUPAC Name: 4-[[7-chloro-4-(2-hydroxy-2-oxo-1-phenylethoxy)quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[7-chloro-4-(2-hydroxy-2-keto-1-phenyl-ethoxy)quinoline-2-carbonyl]amino]butyric acid Formula: C30H31ClN4O9 MolecularWeight: 627.04154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=CC(=C3)Cl)C(=C2)OC(C4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=C(C=CC(=C3)Cl)C(=C2)OC(C4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C30H31ClN4O9/c1-2-43-30(42)35-14-12-34(13-15-35)27(37)21(28(38)39)10-11-32-26(36)23-17-24(20-9-8-19(31)16-22(20)33-23)44-25(29(40)41)18-6-4-3-5-7-18/h3-9,16-17,21,25H,2,10-15H2,1H3,(H,32,36)(H,38,39)(H,40,41)