2-[[4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-methoxyquinolin-2-yl)carbonylamino]-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-methoxyquinolin-2-yl)carbonylamino]-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-methoxyquinoline-2-carbonyl)amino]-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[4-(4-ethoxycarbonyl-1-piperazinyl)-3-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-methoxyquinoline-2-carbonyl)amino]-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[4-(4-carbethoxypiperazino)-4-keto-3-[(4-methoxyquinoline-2-carbonyl)amino]butanoyl]-methyl-amino]acetic acid Formula: C25H31N5O8 MolecularWeight: 529.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC(=O)N(C)CC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CC(=O)N(C)CC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C25H31N5O8/c1-4-38-25(36)30-11-9-29(10-12-30)24(35)19(14-21(31)28(2)15-22(32)33)27-23(34)18-13-20(37-3)16-7-5-6-8-17(16)26-18/h5-8,13,19H,4,9-12,14-15H2,1-3H3,(H,27,34)(H,32,33)