2-[4-(6-ethynyl-2,3-dihydroindol-1-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid

Systemtic Name: 2-[4-(6-ethynyl-2,3-dihydroindol-1-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid Openeye Name: 2-[4-(6-ethynylindolin-1-yl)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enoic acid CAS Name: 2-[4-(6-ethynyl-2,3-dihydroindol-1-yl)-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenoic acid IUPAC Name: 2-[4-(6-ethynyl-2,3-dihydroindol-1-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoic acid Traditional Name: 2-[4-(6-ethynylindolin-1-yl)-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=C2C(=C1)C(=NC=N2)N3CCC4=C3C=C(C=C4)C#C)OCCCN5CCOCC5)C(=O)O

Isomeric SMILES

C=C(C1=C(C=C2C(=C1)C(=NC=N2)N3CCC4=C3C=C(C=C4)C#C)OCCCN5CCOCC5)C(=O)O

InChI

InChI=1S/C28H28N4O4/c1-3-20-5-6-21-7-9-32(25(21)15-20)27-23-16-22(19(2)28(33)34)26(17-24(23)29-18-30-27)36-12-4-8-31-10-13-35-14-11-31/h1,5-6,15-18H,2,4,7-14H2,(H,33,34)