ditert-butyl 2,2-bis[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]propanedioate

Systemtic Name: ditert-butyl 2,2-bis[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]propanedioate Openeye Name: ditert-butyl 2,2-bis[3-oxo-3-(2-pyridylmethylamino)propyl]propanedioate CAS Name: 2,2-bis[3-oxo-3-(2-pyridinylmethylamino)propyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-bis[3-oxo-3-(pyridin-2-ylmethylamino)propyl]propanedioate Traditional Name: 2,2-bis[3-keto-3-(2-pyridylmethylamino)propyl]malonic acid ditert-butyl ester Formula: C29H40N4O6 MolecularWeight: 540.6511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCC1=CC=CC=N1)(CCC(=O)NCC2=CC=CC=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCC1=CC=CC=N1)(CCC(=O)NCC2=CC=CC=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H40N4O6/c1-27(2,3)38-25(36)29(26(37)39-28(4,5)6,15-13-23(34)32-19-21-11-7-9-17-30-21)16-14-24(35)33-20-22-12-8-10-18-31-22/h7-12,17-18H,13-16,19-20H2,1-6H3,(H,32,34)(H,33,35)