4-[[6-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[6-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[6-chloro-4-(1-ethoxycarbonylcyclobutoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[6-chloro-4-(1-ethoxycarbonylcyclobutyl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[6-chloro-4-(1-ethoxycarbonylcyclobutyl)oxy-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxycyclobutoxy)-6-chloro-7-methyl-quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C30H37ClN4O9 MolecularWeight: 633.08918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)OC2=CC(=NC3=CC(=C(C=C32)Cl)C)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC1)OC2=CC(=NC3=CC(=C(C=C32)Cl)C)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C30H37ClN4O9/c1-4-42-28(40)30(9-6-10-30)44-24-17-23(32-22-15-18(3)20(31)16-19(22)24)26(38)33-21(7-8-25(36)37)27(39)34-11-13-35(14-12-34)29(41)43-5-2/h15-17,21H,4-14H2,1-3H3,(H,33,38)(H,36,37)