tert-butyl 2-[bis(fluoranyl)methyl]-6-methoxy-3-(phenylmethyl)-4H-quinazoline-4-carboxylate

Systemtic Name: tert-butyl 2-[bis(fluoranyl)methyl]-6-methoxy-3-(phenylmethyl)-4H-quinazoline-4-carboxylate Openeye Name: tert-butyl 3-benzyl-2-(difluoromethyl)-6-methoxy-4H-quinazoline-4-carboxylate CAS Name: 2-(difluoromethyl)-6-methoxy-3-(phenylmethyl)-4H-quinazoline-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-2-(difluoromethyl)-6-methoxy-4H-quinazoline-4-carboxylate Traditional Name: 3-benzyl-2-(difluoromethyl)-6-methoxy-4H-quinazoline-4-carboxylic acid tert-butyl ester Formula: C22H24F2N2O3 MolecularWeight: 402.434366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2=C(C=CC(=C2)OC)N=C(N1CC3=CC=CC=C3)C(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1C2=C(C=CC(=C2)OC)N=C(N1CC3=CC=CC=C3)C(F)F

InChI

InChI=1S/C22H24F2N2O3/c1-22(2,3)29-21(27)18-16-12-15(28-4)10-11-17(16)25-20(19(23)24)26(18)13-14-8-6-5-7-9-14/h5-12,18-19H,13H2,1-4H3