tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]piperidine-1-carboxylate CAS Name: 4-[(3,4-dichlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3,4-dichlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H28Cl2N4O4 MolecularWeight: 507.40952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3

InChI

InChI=1S/C24H28Cl2N4O4/c1-24(2,3)34-23(33)29-11-7-17(8-12-29)30(15-16-5-6-18(25)19(26)13-16)21(32)14-20(31)22-27-9-4-10-28-22/h4-6,9-10,13,17H,7-8,11-12,14-15H2,1-3H3