methyl 2-[4-[[6-butyl-2-(2-chloranylethanoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[6-butyl-2-(2-chloranylethanoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-butyl-2-[(2-chloroacetyl)amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-2-[(2-chloro-1-oxoethyl)amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-butyl-2-[(2-chloroacetyl)amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-butyl-2-[(2-chloroacetyl)amino]-4-keto-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=O)CCl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=O)CCl)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H26ClN3O4/c1-3-4-9-21-20(23(31)29-25(27-21)28-22(30)15-26)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)24(32)33-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H2,27,28,29,30,31)