4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6,7-dimethyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6,7-dimethyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(1-ethoxycarbonylcyclobutoxy)-6,7-dimethyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(1-ethoxycarbonylcyclobutyl)oxy-6,7-dimethyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(1-ethoxycarbonylcyclobutyl)oxy-6,7-dimethylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 4-[[4-(1-carbethoxycyclobutoxy)-6,7-dimethyl-quinoline-2-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C31H40N4O9 MolecularWeight: 612.6707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC1)OC2=CC(=NC3=CC(=C(C=C32)C)C)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC1)OC2=CC(=NC3=CC(=C(C=C32)C)C)C(=O)NC(CCC(=O)O)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C31H40N4O9/c1-5-42-29(40)31(10-7-11-31)44-25-18-24(32-23-17-20(4)19(3)16-21(23)25)27(38)33-22(8-9-26(36)37)28(39)34-12-14-35(15-13-34)30(41)43-6-2/h16-18,22H,5-15H2,1-4H3,(H,33,38)(H,36,37)