benzene; 4-[[4-(carboxymethyloxy)-6-(dimethylamino)quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: benzene; 4-[[4-(carboxymethyloxy)-6-(dimethylamino)quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: benzene; 4-[[4-(carboxymethyloxy)-6-(dimethylamino)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: benzene; 4-[[[4-(carboxymethyloxy)-6-(dimethylamino)-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: benzene; 4-[[4-(carboxymethyloxy)-6-(dimethylamino)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: benzene; 5-(4-carbethoxypiperazino)-4-[[4-(carboxymethyloxy)-6-(dimethylamino)quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C32H39N5O9 MolecularWeight: 637.68016

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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=C(C=C3)N(C)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=C(C=C3)N(C)C)C(=C2)OCC(=O)O.C1=CC=CC=C1

InChI

InChI=1S/C26H33N5O9.C6H6/c1-4-39-26(38)31-11-9-30(10-12-31)25(37)19(7-8-22(32)33)28-24(36)20-14-21(40-15-23(34)35)17-13-16(29(2)3)5-6-18(17)27-20;1-2-4-6-5-3-1/h5-6,13-14,19H,4,7-12,15H2,1-3H3,(H,28,36)(H,32,33)(H,34,35);1-6H