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

Systemtic Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-ethoxycarbonylcyclobutoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(1-ethoxycarbonylcyclobutyl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxycyclobutoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C30H38N4O9 MolecularWeight: 598.64412

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H38N4O9/c1-4-41-28(39)30(11-6-12-30)43-24-18-23(31-22-17-19(3)7-8-20(22)24)26(37)32-21(9-10-25(35)36)27(38)33-13-15-34(16-14-33)29(40)42-5-2/h7-8,17-18,21H,4-6,9-16H2,1-3H3,(H,32,37)(H,35,36)