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

Systemtic Name: 3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]propanoic acid Openeye Name: 3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-3-quinolyl]propanoic acid CAS Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinyl]propanoic acid IUPAC Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-3-yl]propanoic acid Traditional Name: 3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-3-quinolyl]propionic acid Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CCC(=O)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CCC(=O)O)C#N)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-28-19-6-3-14(9-17(19)22)11-25-21-15(4-7-20(26)27)12-24-18-5-2-13(10-23)8-16(18)21/h2-3,5-6,8-9,12H,4,7,11H2,1H3,(H,24,25)(H,26,27)