4-[[7-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[7-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[7-chloro-4-(1-ethoxycarbonylcyclobutoxy)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[7-chloro-4-(1-ethoxycarbonylcyclobutyl)oxy-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[7-chloro-4-(1-ethoxycarbonylcyclobutyl)oxyquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxycyclobutoxy)-7-chloro-quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C29H35ClN4O9 MolecularWeight: 619.0626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)OC2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC1)OC2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C29H35ClN4O9/c1-3-41-27(39)29(10-5-11-29)43-23-17-22(31-21-16-18(30)6-7-19(21)23)25(37)32-20(8-9-24(35)36)26(38)33-12-14-34(15-13-33)28(40)42-4-2/h6-7,16-17,20H,3-5,8-15H2,1-2H3,(H,32,37)(H,35,36)