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

Systemtic Name: 4-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 4-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-4-hydroxy-proline Formula: C27H21ClN4O4 MolecularWeight: 500.93304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O)C(=O)O

Isomeric SMILES

C1C(NCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl)O)C(=O)O

InChI

InChI=1S/C27H21ClN4O4/c28-21-13-18(7-9-24(21)36-19-4-2-1-3-5-19)32-25-20-12-17(6-8-22(20)30-16-31-25)10-11-27(35)14-23(26(33)34)29-15-27/h1-9,12-13,16,23,29,35H,14-15H2,(H,33,34)(H,30,31,32)