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

Systemtic Name: 4-[(5-azanylquinolin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(5-aminoquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[(5-amino-2-quinolinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[(5-aminoquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[(5-aminoquinoline-2-carbonyl)amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C22H27N5O6 MolecularWeight: 457.47968

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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=C2)C(=CC=C3)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=C2)C(=CC=C3)N

InChI

InChI=1S/C22H27N5O6/c1-2-33-22(32)27-12-10-26(11-13-27)21(31)18(8-9-19(28)29)25-20(30)17-7-6-14-15(23)4-3-5-16(14)24-17/h3-7,18H,2,8-13,23H2,1H3,(H,25,30)(H,28,29)