benzene; 4-[[4-(carboxymethyloxy)-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: benzene; 4-[[4-(carboxymethyloxy)-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: benzene; 4-[[4-(carboxymethyloxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: benzene; 4-[[[4-(carboxymethyloxy)-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: benzene; 4-[[4-(carboxymethyloxy)-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: benzene; 5-(4-carbethoxypiperazino)-4-[[4-(carboxymethyloxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C31H36N4O9 MolecularWeight: 608.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OCC(=O)O.C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OCC(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C25H30N4O9.C6H6/c1-3-37-25(36)29-10-8-28(9-11-29)24(35)17(6-7-21(30)31)27-23(34)19-13-20(38-14-22(32)33)16-5-4-15(2)12-18(16)26-19;1-2-4-6-5-3-1/h4-5,12-13,17H,3,6-11,14H2,1-2H3,(H,27,34)(H,30,31)(H,32,33);1-6H