5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(1-propan-2-yloxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(1-propan-2-yloxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-isopropoxycarbonylcyclobutoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[7-methyl-4-[1-[oxo(propan-2-yloxy)methyl]cyclobutyl]oxy-2-quinolinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[7-methyl-4-(1-propan-2-yloxycarbonylcyclobutyl)oxyquinoline-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(1-isopropoxycarbonylcyclobutoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C31H40N4O9 MolecularWeight: 612.6707

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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)OC4(CCC4)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)C)C(=C2)OC4(CCC4)C(=O)OC(C)C

InChI

InChI=1S/C31H40N4O9/c1-5-42-30(41)35-15-13-34(14-16-35)28(39)22(9-10-26(36)37)33-27(38)24-18-25(21-8-7-20(4)17-23(21)32-24)44-31(11-6-12-31)29(40)43-19(2)3/h7-8,17-19,22H,5-6,9-16H2,1-4H3,(H,33,38)(H,36,37)