2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[4-(2-ethoxy-2-oxidanylidene-1-phenyl-ethoxy)-7-methyl-quinolin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[4-(2-ethoxy-2-oxidanylidene-1-phenyl-ethoxy)-7-methyl-quinolin-2-yl]carbonylamino]butanoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[4-(2-ethoxy-2-oxo-1-phenyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]butanoic acid CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-4-[[[4-(2-ethoxy-2-oxo-1-phenylethoxy)-7-methyl-2-quinolinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[4-(2-ethoxy-2-oxo-1-phenylethoxy)-7-methylquinoline-2-carbonyl]amino]butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[4-(2-ethoxy-2-keto-1-phenyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]butyric acid Formula: C33H38N4O9 MolecularWeight: 634.67622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)OC2=CC(=NC3=C2C=CC(=C3)C)C(=O)NCCC(C(=O)N4CCN(CC4)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)OC2=CC(=NC3=C2C=CC(=C3)C)C(=O)NCCC(C(=O)N4CCN(CC4)C(=O)OCC)C(=O)O

InChI

InChI=1S/C33H38N4O9/c1-4-44-32(42)28(22-9-7-6-8-10-22)46-27-20-26(35-25-19-21(3)11-12-23(25)27)29(38)34-14-13-24(31(40)41)30(39)36-15-17-37(18-16-36)33(43)45-5-2/h6-12,19-20,24,28H,4-5,13-18H2,1-3H3,(H,34,38)(H,40,41)