methyl 4-[[2-cyano-3-(quinolin-2-ylmethoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-cyano-3-(quinolin-2-ylmethoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-cyano-3-(2-quinolylmethoxy)anilino]-4-oxo-butanoate CAS Name: 4-[2-cyano-3-(2-quinolinylmethoxy)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-cyano-3-(quinolin-2-ylmethoxy)anilino]-4-oxobutanoate Traditional Name: 4-[2-cyano-3-(2-quinolylmethoxy)anilino]-4-keto-butyric acid methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=C(C(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)C#N

Isomeric SMILES

COC(=O)CCC(=O)NC1=C(C(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)C#N

InChI

InChI=1S/C22H19N3O4/c1-28-22(27)12-11-21(26)25-19-7-4-8-20(17(19)13-23)29-14-16-10-9-15-5-2-3-6-18(15)24-16/h2-10H,11-12,14H2,1H3,(H,25,26)