ethyl 4-[2-[[7-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-ethoxy-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[7-chloranyl-4-(1-ethoxycarbonylcyclobutyl)oxy-quinolin-2-yl]carbonylamino]-5-ethoxy-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[7-chloro-4-(1-ethoxycarbonylcyclobutoxy)quinoline-2-carbonyl]amino]-5-ethoxy-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[7-chloro-4-(1-ethoxycarbonylcyclobutyl)oxy-2-quinolinyl]-oxomethyl]amino]-5-ethoxy-1,5-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[7-chloro-4-(1-ethoxycarbonylcyclobutyl)oxyquinoline-2-carbonyl]amino]-5-ethoxy-5-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(1-carbethoxycyclobutoxy)-7-chloro-quinoline-2-carbonyl]amino]-5-ethoxy-5-keto-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C31H39ClN4O9 MolecularWeight: 647.11576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39ClN4O9/c1-4-42-26(37)11-10-22(28(39)35-14-16-36(17-15-35)30(41)44-6-3)34-27(38)24-19-25(21-9-8-20(32)18-23(21)33-24)45-31(12-7-13-31)29(40)43-5-2/h8-9,18-19,22H,4-7,10-17H2,1-3H3,(H,34,38)