2-[1-(7-chloranylquinazolin-4-yl)-2-methyl-5-propan-2-yl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(7-chloranylquinazolin-4-yl)-2-methyl-5-propan-2-yl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(7-chloroquinazolin-4-yl)-5-isopropyl-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(7-chloro-4-quinazolinyl)-2-methyl-5-propan-2-yl-3-indolyl]acetic acid IUPAC Name: 2-[1-(7-chloroquinazolin-4-yl)-2-methyl-5-propan-2-ylindol-3-yl]acetic acid Traditional Name: 2-[1-(7-chloroquinazolin-4-yl)-5-isopropyl-2-methyl-indol-3-yl]acetic acid Formula: C22H20ClN3O2 MolecularWeight: 393.8661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NC=NC4=C3C=CC(=C4)Cl)C=CC(=C2)C(C)C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=NC=NC4=C3C=CC(=C4)Cl)C=CC(=C2)C(C)C)CC(=O)O

InChI

InChI=1S/C22H20ClN3O2/c1-12(2)14-4-7-20-18(8-14)17(10-21(27)28)13(3)26(20)22-16-6-5-15(23)9-19(16)24-11-25-22/h4-9,11-12H,10H2,1-3H3,(H,27,28)