methyl 4-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[4-(4-tert-butylphenyl)-2-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazino]-4-keto-butyric acid methyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)CCC(=O)OC

InChI

InChI=1S/C23H30N4O3/c1-23(2,3)18-7-5-17(6-8-18)19-11-12-24-22(25-19)27-15-13-26(14-16-27)20(28)9-10-21(29)30-4/h5-8,11-12H,9-10,13-16H2,1-4H3