diethyl 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxypropanedioate

Systemtic Name: diethyl 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxypropanedioate Openeye Name: diethyl 2-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]-4-quinolyl]oxy]propanedioate CAS Name: 2-[[2-[[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]amino]-oxomethyl]-4-quinolinyl]oxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxypropanedioate Traditional Name: 2-[[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]carbamoyl]-4-quinolyl]oxy]malonic acid diethyl ester Formula: C26H32N4O9 MolecularWeight: 544.55368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC1=CC(=NC2=CC=CC=C21)C(=O)NCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC1=CC(=NC2=CC=CC=C21)C(=O)NCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C26H32N4O9/c1-4-36-24(33)22(25(34)37-5-2)39-20-15-19(28-18-10-8-7-9-17(18)20)23(32)27-16-21(31)29-11-13-30(14-12-29)26(35)38-6-3/h7-10,15,22H,4-6,11-14,16H2,1-3H3,(H,27,32)