(E)-3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-2-quinolyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-2-quinolinyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-2-quinolyl]acrylic acid Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)C#N)C=CC(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C=C(C=C3)C#N)/C=C/C(=O)O)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-28-20-6-3-14(9-17(20)22)12-24-19-10-15(4-7-21(26)27)25-18-5-2-13(11-23)8-16(18)19/h2-10H,12H2,1H3,(H,24,25)(H,26,27)/b7-4+