(E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]-2-methyl-acrylic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C/C(=C\C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4)/C(=O)O

InChI

InChI=1S/C20H16ClN3O4/c1-11(20(25)26)6-18-23-15-4-3-13(21)8-14(15)19(24-18)22-9-12-2-5-16-17(7-12)28-10-27-16/h2-8H,9-10H2,1H3,(H,25,26)(H,22,23,24)/b11-6+