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

Systemtic Name: ethyl 4-[2-[[4-(1-cyanoethoxy)quinolin-2-yl]carbonylamino]-5-methoxy-5-oxidanylidene-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(1-cyanoethoxy)quinoline-2-carbonyl]amino]-5-methoxy-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[4-(1-cyanoethoxy)-2-quinolinyl]-oxomethyl]amino]-5-methoxy-1,5-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(1-cyanoethoxy)quinoline-2-carbonyl]amino]-5-methoxy-5-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(1-cyanoethoxy)quinoline-2-carbonyl]amino]-5-keto-5-methoxy-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O7 MolecularWeight: 525.55364

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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)OC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O7/c1-4-37-26(35)31-13-11-30(12-14-31)25(34)20(9-10-23(32)36-3)29-24(33)21-15-22(38-17(2)16-27)18-7-5-6-8-19(18)28-21/h5-8,15,17,20H,4,9-14H2,1-3H3,(H,29,33)