1-[[5-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[5-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[5-[4-(4-benzyloxyanilino)quinazolin-6-yl]-2-furyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]-2-furanyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[5-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]furan-2-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[5-[4-(4-benzoxyanilino)quinazolin-6-yl]-2-furyl]methyl]proline Formula: C31H28N4O4 MolecularWeight: 520.57842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C31H28N4O4/c36-31(37)28-7-4-16-35(28)18-25-13-15-29(39-25)22-8-14-27-26(17-22)30(33-20-32-27)34-23-9-11-24(12-10-23)38-19-21-5-2-1-3-6-21/h1-3,5-6,8-15,17,20,28H,4,7,16,18-19H2,(H,36,37)(H,32,33,34)