4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-ethoxy-6-(2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7-ethoxy-6-(2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(2-pyridylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxo-pyrrolidin-1-yl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxo-1-pyrrolidinyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(2-pyridylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-keto-pyrrolidino)quinoline-3-carbonitrile Formula: C28H24ClN5O4 MolecularWeight: 529.97426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)N5C(CCC5=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)N5C(CCC5=O)O

InChI

InChI=1S/C28H24ClN5O4/c1-2-37-25-13-22-20(12-23(25)34-26(35)8-9-27(34)36)28(17(14-30)15-32-22)33-18-6-7-24(21(29)11-18)38-16-19-5-3-4-10-31-19/h3-7,10-13,15,26,35H,2,8-9,16H2,1H3,(H,32,33)