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

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]pentanoic acid Openeye Name: 4-[(4-benzyloxyquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]pentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]pentanoic acid Traditional Name: 4-[(4-benzoxyquinoline-2-carbonyl)amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C29H32N4O7 MolecularWeight: 548.58698

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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)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O7/c1-2-39-29(38)33-16-14-32(15-17-33)28(37)23(12-13-26(34)35)31-27(36)24-18-25(21-10-6-7-11-22(21)30-24)40-19-20-8-4-3-5-9-20/h3-11,18,23H,2,12-17,19H2,1H3,(H,31,36)(H,34,35)