methyl 4-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 4-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-propoxyphenyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H23N3O3/c1-3-16-31-20-14-10-17(11-15-20)23-27-22-7-5-4-6-21(22)24(28-23)26-19-12-8-18(9-13-19)25(29)30-2/h4-15H,3,16H2,1-2H3,(H,26,27,28)