(E)-3-[4-[(2-methoxy-7-phenylmethoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2-methoxy-7-phenylmethoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(7-benzyloxy-2-methoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-methoxy-7-phenylmethoxy-4-quinazolinyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(7-benzoxy-2-methoxy-quinazolin-4-yl)amino]phenyl]acrylic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)C=CC(=O)O

Isomeric SMILES

COC1=NC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)/C=C/C(=O)O

InChI

InChI=1S/C25H21N3O4/c1-31-25-27-22-15-20(32-16-18-5-3-2-4-6-18)12-13-21(22)24(28-25)26-19-10-7-17(8-11-19)9-14-23(29)30/h2-15H,16H2,1H3,(H,29,30)(H,26,27,28)/b14-9+