ethyl 4-[2-[[4-(cyanomethoxy)quinolin-2-yl]carbonylamino]-5-methoxy-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-(cyanomethoxy)quinolin-2-yl]carbonylamino]-5-methoxy-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(cyanomethoxy)quinoline-2-carbonyl]amino]-5-methoxy-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[4-(cyanomethoxy)-2-quinolinyl]-oxomethyl]amino]-5-methoxy-1,5-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(cyanomethoxy)quinoline-2-carbonyl]amino]-5-methoxy-5-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(cyanomethoxy)quinoline-2-carbonyl]amino]-5-keto-5-methoxy-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)C2=NC3=CC=CC=C3C(=C2)OCC#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC)NC(=O)C2=NC3=CC=CC=C3C(=C2)OCC#N

InChI

InChI=1S/C25H29N5O7/c1-3-36-25(34)30-13-11-29(12-14-30)24(33)19(8-9-22(31)35-2)28-23(32)20-16-21(37-15-10-26)17-6-4-5-7-18(17)27-20/h4-7,16,19H,3,8-9,11-15H2,1-2H3,(H,28,32)