N-methylmethanamine; propyl (E)-4-oxidanylidene-4-[[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]amino]but-2-enoate

Systemtic Name: N-methylmethanamine; propyl (E)-4-oxidanylidene-4-[[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]amino]but-2-enoate Openeye Name: N-methylmethanamine; propyl (E)-4-oxo-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoate CAS Name: N-methylmethanamine; (E)-4-oxo-4-[[4-(4-phenoxyanilino)-6-quinazolinyl]amino]-2-butenoic acid propyl ester IUPAC Name: N-methylmethanamine; propyl (E)-4-oxo-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoate Traditional Name: dimethylamine; (E)-4-keto-4-[[4-(4-phenoxyanilino)quinazolin-6-yl]amino]but-2-enoic acid propyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OC4=CC=CC=C4.CNC

Isomeric SMILES

CCCOC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OC4=CC=CC=C4.CNC

InChI

InChI=1S/C27H24N4O4.C2H7N/c1-2-16-34-26(33)15-14-25(32)30-20-10-13-24-23(17-20)27(29-18-28-24)31-19-8-11-22(12-9-19)35-21-6-4-3-5-7-21;1-3-2/h3-15,17-18H,2,16H2,1H3,(H,30,32)(H,28,29,31);3H,1-2H3/b15-14+;