methyl 3-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: methyl 3-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 3-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(4-propoxyphenyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-(4-propoxyphenyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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