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

Systemtic Name: ditert-butyl 2-[4-(diphenylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-[4-(N-phenylanilino)-6-(1-piperidyl)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-[4-(N-phenylanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-(N-phenylanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-[4-(N-phenylanilino)-6-piperidino-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C31H39N5O4 MolecularWeight: 545.67246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H39N5O4/c1-30(2,3)39-26(37)24(27(38)40-31(4,5)6)25-32-28(35-20-14-9-15-21-35)34-29(33-25)36(22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-8,10-13,16-19,24H,9,14-15,20-21H2,1-6H3