ditert-butyl 2,2-bis[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]propanedioate

Systemtic Name: ditert-butyl 2,2-bis[3-oxidanylidene-3-(pyridin-4-ylmethylamino)propyl]propanedioate Openeye Name: ditert-butyl 2,2-bis[3-oxo-3-(4-pyridylmethylamino)propyl]propanedioate CAS Name: 2,2-bis[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-bis[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanedioate Traditional Name: 2,2-bis[3-keto-3-(4-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=NC=C1)(CCC(=O)NCC2=CC=NC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCC1=CC=NC=C1)(CCC(=O)NCC2=CC=NC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H40N4O6/c1-27(2,3)38-25(36)29(26(37)39-28(4,5)6,13-7-23(34)32-19-21-9-15-30-16-10-21)14-8-24(35)33-20-22-11-17-31-18-12-22/h9-12,15-18H,7-8,13-14,19-20H2,1-6H3,(H,32,34)(H,33,35)