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

Systemtic Name: 2-(hydroxymethyl)-4-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Openeye Name: 2-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 2-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-oxanol IUPAC Name: 2-(hydroxymethyl)-4-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol Traditional Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-methylol-tetrahydropyran-4-ol Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOC(C4)CO)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOC(C4)CO)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5/c1-35-27-16-21(8-10-26(27)37-22-5-3-2-4-6-22)32-28-24-15-20(7-9-25(24)30-19-31-28)11-12-29(34)13-14-36-23(17-29)18-33/h2-10,15-16,19,23,33-34H,13-14,17-18H2,1H3,(H,30,31,32)