aluminum 2-[1-(7-chloranylquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoate hydrate

Systemtic Name: aluminum 2-[1-(7-chloranylquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoate hydrate Openeye Name: aluminum 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]acetate hydrate CAS Name: aluminum 2-[1-(7-chloro-4-quinazolinyl)-5-methoxy-2-methyl-3-indolyl]acetate hydrate IUPAC Name: aluminum 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetate hydrate Traditional Name: aluminum 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]acetate hydrate Formula: C20H17AlClN3O4+2 MolecularWeight: 425.801218

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)OC)CC(=O)[O-].O.[Al+3]

Isomeric SMILES

CC1=C(C2=C(N1C3=NC=NC4=C3C=CC(=C4)Cl)C=CC(=C2)OC)CC(=O)[O-].O.[Al+3]

InChI

InChI=1S/C20H16ClN3O3.Al.H2O/c1-11-15(9-19(25)26)16-8-13(27-2)4-6-18(16)24(11)20-14-5-3-12(21)7-17(14)22-10-23-20;;/h3-8,10H,9H2,1-2H3,(H,25,26);;1H2/q;+3;/p-1