4-[[4-(1-cyclohexyl-2-methoxy-2-oxidanylidene-ethoxy)-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-(1-cyclohexyl-2-methoxy-2-oxidanylidene-ethoxy)-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-cyclohexyl-2-methoxy-2-oxo-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(1-cyclohexyl-2-methoxy-2-oxoethoxy)-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(1-cyclohexyl-2-methoxy-2-oxoethoxy)-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-cyclohexyl-2-keto-2-methoxy-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C32H42N4O9 MolecularWeight: 626.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C4CCCCC4)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC(C4CCCCC4)C(=O)OC

InChI

InChI=1S/C32H42N4O9/c1-4-44-32(42)36-16-14-35(15-17-36)30(40)23(12-13-27(37)38)34-29(39)25-19-26(22-11-10-20(2)18-24(22)33-25)45-28(31(41)43-3)21-8-6-5-7-9-21/h10-11,18-19,21,23,28H,4-9,12-17H2,1-3H3,(H,34,39)(H,37,38)