4-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinolin-2-yl)carbonylamino]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinolin-2-yl)carbonylamino]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinoline-2-carbonyl)amino]-3-oxo-propyl]benzoic acid CAS Name: 4-[3-(4-ethoxycarbonyl-1-piperazinyl)-2-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-(4-ethoxycarbonylpiperazin-1-yl)-2-[(4-methoxyquinoline-2-carbonyl)amino]-3-oxopropyl]benzoic acid Traditional Name: 4-[3-(4-carbethoxypiperazino)-3-keto-2-[(4-methoxyquinoline-2-carbonyl)amino]propyl]benzoic acid Formula: C28H30N4O7 MolecularWeight: 534.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=O)O)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C28H30N4O7/c1-3-39-28(37)32-14-12-31(13-15-32)26(34)23(16-18-8-10-19(11-9-18)27(35)36)30-25(33)22-17-24(38-2)20-6-4-5-7-21(20)29-22/h4-11,17,23H,3,12-16H2,1-2H3,(H,30,33)(H,35,36)