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

Systemtic Name: ditert-butyl 2-[4-chloranyl-6-(diphenylamino)-1,3,5-triazin-2-yl]-2-methyl-propanedioate Openeye Name: ditert-butyl 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methyl-propanedioate CAS Name: 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioate Traditional Name: 2-[4-chloro-6-(N-phenylanilino)-s-triazin-2-yl]-2-methyl-malonic acid ditert-butyl ester Formula: C27H31ClN4O4 MolecularWeight: 511.01244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31ClN4O4/c1-25(2,3)35-21(33)27(7,22(34)36-26(4,5)6)20-29-23(28)31-24(30-20)32(18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17H,1-7H3