2-[4-ethoxycarbonyl-1-[2-[(4-methoxyquinolin-2-yl)carbonylamino]ethanoyl]piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-ethoxycarbonyl-1-[2-[(4-methoxyquinolin-2-yl)carbonylamino]ethanoyl]piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-ethoxycarbonyl-1-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-2-yl]acetic acid CAS Name: 2-[4-ethoxycarbonyl-1-[2-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-1-oxoethyl]-2-piperazinyl]acetic acid IUPAC Name: 2-[4-ethoxycarbonyl-1-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-2-yl]acetic acid Traditional Name: 2-[4-carbethoxy-1-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-2-yl]acetic acid Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)CC(=O)O)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)CC(=O)O)C(=O)CNC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C22H26N4O7/c1-3-33-22(31)25-8-9-26(14(13-25)10-20(28)29)19(27)12-23-21(30)17-11-18(32-2)15-6-4-5-7-16(15)24-17/h4-7,11,14H,3,8-10,12-13H2,1-2H3,(H,23,30)(H,28,29)