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

Systemtic Name: 2-[1-(7-chloranylquinazolin-4-yl)-2-methyl-5-(2-methylpropoxy)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(7-chloroquinazolin-4-yl)-5-isobutoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(7-chloro-4-quinazolinyl)-2-methyl-5-(2-methylpropoxy)-3-indolyl]acetic acid IUPAC Name: 2-[1-(7-chloroquinazolin-4-yl)-2-methyl-5-(2-methylpropoxy)indol-3-yl]acetic acid Traditional Name: 2-[1-(7-chloroquinazolin-4-yl)-5-isobutoxy-2-methyl-indol-3-yl]acetic acid Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O3/c1-13(2)11-30-16-5-7-21-19(9-16)18(10-22(28)29)14(3)27(21)23-17-6-4-15(24)8-20(17)25-12-26-23/h4-9,12-13H,10-11H2,1-3H3,(H,28,29)