3-morpholin-4-ylpropyl (E)-4-oxidanylidene-4-[[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]amino]but-2-enoate

Systemtic Name: 3-morpholin-4-ylpropyl (E)-4-oxidanylidene-4-[[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]amino]but-2-enoate Openeye Name: 3-morpholinopropyl (E)-4-oxo-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[4-(4-phenoxyanilino)-6-quinazolinyl]amino]-2-butenoic acid 3-(4-morpholinyl)propyl ester IUPAC Name: 3-morpholin-4-ylpropyl (E)-4-oxo-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoic acid 3-morpholinopropyl ester Formula: C31H31N5O5 MolecularWeight: 553.60834

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC(=O)C=CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCOC(=O)/C=C/C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O5/c37-29(13-14-30(38)40-18-4-15-36-16-19-39-20-17-36)34-24-9-12-28-27(21-24)31(33-22-32-28)35-23-7-10-26(11-8-23)41-25-5-2-1-3-6-25/h1-3,5-14,21-22H,4,15-20H2,(H,34,37)(H,32,33,35)/b14-13+