2-[4-[3-(4-phenyl-8-propyl-quinazolin-7-yl)oxypropylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-phenyl-8-propyl-quinazolin-7-yl)oxypropylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-phenyl-8-propyl-quinazolin-7-yl)oxypropylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[3-[(4-phenyl-8-propyl-7-quinazolinyl)oxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-phenyl-8-propylquinazolin-7-yl)oxypropylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(4-phenyl-8-propyl-quinazolin-7-yl)oxypropylthio]phenyl]acetic acid Formula: C28H28N2O3S MolecularWeight: 472.59852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1N=CN=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1N=CN=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C28H28N2O3S/c1-2-7-23-25(33-16-6-17-34-22-12-10-20(11-13-22)18-26(31)32)15-14-24-27(29-19-30-28(23)24)21-8-4-3-5-9-21/h3-5,8-15,19H,2,6-7,16-18H2,1H3,(H,31,32)