ditert-butyl 2-[4-(diphenylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]-2-methyl-propanedioate

Systemtic Name: ditert-butyl 2-[4-(diphenylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]-2-methyl-propanedioate Openeye Name: ditert-butyl 2-[4-imidazol-1-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methyl-propanedioate CAS Name: 2-[4-(1-imidazolyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-imidazol-1-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioate Traditional Name: 2-[4-imidazol-1-yl-6-(N-phenylanilino)-s-triazin-2-yl]-2-methyl-malonic acid ditert-butyl ester Formula: C30H34N6O4 MolecularWeight: 542.62876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4C=CN=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4C=CN=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N6O4/c1-28(2,3)39-24(37)30(7,25(38)40-29(4,5)6)23-32-26(35-19-18-31-20-35)34-27(33-23)36(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20H,1-7H3