5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]quinolin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]quinolin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]quinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C25H28N4O8 MolecularWeight: 512.51182

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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)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O8/c1-2-37-25(36)29-13-11-28(12-14-29)24(35)19(8-10-22(32)33)27-23(34)20-15-16(7-9-21(30)31)17-5-3-4-6-18(17)26-20/h3-7,9,15,19H,2,8,10-14H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b9-7+