5-(hydroxymethyl)-3-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol

Systemtic Name: 5-(hydroxymethyl)-3-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 5-(hydroxymethyl)-3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 5-(hydroxymethyl)-3-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 5-(hydroxymethyl)-3-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-5-methylol-pyrrolidin-3-ol Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CC(NC4)CO)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CC(NC4)CO)O)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O4/c1-35-26-14-20(8-10-25(26)36-22-5-3-2-4-6-22)32-27-23-13-19(7-9-24(23)30-18-31-27)11-12-28(34)15-21(16-33)29-17-28/h2-10,13-14,18,21,29,33-34H,15-17H2,1H3,(H,30,31,32)