(E)-3-[4-[(6-methoxy-7-phenylmethoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(6-methoxy-7-phenylmethoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(7-benzyloxy-6-methoxy-quinazolin-4-yl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(6-methoxy-7-phenylmethoxy-4-quinazolinyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(7-benzoxy-6-methoxy-quinazolin-4-yl)amino]phenyl]acrylic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C=CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)/C=C/C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-31-22-13-20-21(14-23(22)32-15-18-5-3-2-4-6-18)26-16-27-25(20)28-19-10-7-17(8-11-19)9-12-24(29)30/h2-14,16H,15H2,1H3,(H,29,30)(H,26,27,28)/b12-9+