5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-ethoxycarbonyl-2-methyl-propoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(1-ethoxy-3-methyl-1-oxobutan-2-yl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-3-methyl-1-oxobutan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxy-2-methyl-propoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C30H40N4O9 MolecularWeight: 600.66

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C)C)OC1=CC(=NC2=C1C=CC(=C2)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C30H40N4O9/c1-6-41-29(39)26(18(3)4)43-24-17-23(31-22-16-19(5)8-9-20(22)24)27(37)32-21(10-11-25(35)36)28(38)33-12-14-34(15-13-33)30(40)42-7-2/h8-9,16-18,21,26H,6-7,10-15H2,1-5H3,(H,32,37)(H,35,36)