4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-4-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-4-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]proline Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CC(NC4)C(=O)O)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CC(NC4)C(=O)O)O)OC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4/c1-18-13-20(8-10-25(18)36-21-5-3-2-4-6-21)32-26-22-14-19(7-9-23(22)30-17-31-26)11-12-28(35)15-24(27(33)34)29-16-28/h2-10,13-14,17,24,29,35H,15-16H2,1H3,(H,33,34)(H,30,31,32)