2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-3-quinolyl]methyl]propanedioic acid CAS Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-3-quinolyl]methyl]malonic acid Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CC(C(=O)O)C(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CC(C(=O)O)C(=O)O)C#N)Cl

InChI

InChI=1S/C22H18ClN3O5/c1-31-19-5-3-13(7-17(19)23)10-26-20-14(8-16(21(27)28)22(29)30)11-25-18-4-2-12(9-24)6-15(18)20/h2-7,11,16H,8,10H2,1H3,(H,25,26)(H,27,28)(H,29,30)