methyl 4-[[[6-chloranyl-2-(2-phenoxyethylamino)quinazolin-4-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[6-chloranyl-2-(2-phenoxyethylamino)quinazolin-4-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[6-chloro-2-(2-phenoxyethylamino)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 4-[[[6-chloro-2-(2-phenoxyethylamino)-4-quinazolinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[6-chloro-2-(2-phenoxyethylamino)quinazolin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[6-chloro-2-(2-phenoxyethylamino)quinazolin-4-yl]amino]methyl]benzoic acid methyl ester Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)Cl)NCCOC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)Cl)NCCOC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O3/c1-32-24(31)18-9-7-17(8-10-18)16-28-23-21-15-19(26)11-12-22(21)29-25(30-23)27-13-14-33-20-5-3-2-4-6-20/h2-12,15H,13-14,16H2,1H3,(H2,27,28,29,30)