4-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]-4-quinolyl]oxymethyl]benzoic acid CAS Name: 4-[[2-[[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]amino]-oxomethyl]-4-quinolinyl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]carbamoyl]-4-quinolyl]oxymethyl]benzoic acid Formula: C27H28N4O7 MolecularWeight: 520.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H28N4O7/c1-2-37-27(36)31-13-11-30(12-14-31)24(32)16-28-25(33)22-15-23(20-5-3-4-6-21(20)29-22)38-17-18-7-9-19(10-8-18)26(34)35/h3-10,15H,2,11-14,16-17H2,1H3,(H,28,33)(H,34,35)