3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carbonyl]amino]propionic acid Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCC(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCC(=O)O)C#N)Cl

InChI

InChI=1S/C22H19ClN4O4/c1-31-19-5-3-14(9-17(19)23)11-27-21-15-8-13(10-24)2-4-18(15)26-12-16(21)22(30)25-7-6-20(28)29/h2-5,8-9,12H,6-7,11H2,1H3,(H,25,30)(H,26,27)(H,28,29)