5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(4-methylpiperazin-1-yl)quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(4-methylpiperazin-1-yl)quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(4-methylpiperazin-1-yl)quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(4-methyl-1-piperazinyl)-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(4-methylpiperazin-1-yl)quinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-5-keto-4-[[4-(4-methylpiperazino)quinoline-2-carbonyl]amino]valeric acid Formula: C27H36N6O6 MolecularWeight: 540.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)N4CCN(CC4)C

InChI

InChI=1S/C27H36N6O6/c1-3-39-27(38)33-16-14-32(15-17-33)26(37)21(8-9-24(34)35)29-25(36)22-18-23(31-12-10-30(2)11-13-31)19-6-4-5-7-20(19)28-22/h4-7,18,21H,3,8-17H2,1-2H3,(H,29,36)(H,34,35)