methyl 4-[[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O4/c1-11-15(17(23)21-12(2)20-11)8-9-16(22)19-10-13-4-6-14(7-5-13)18(24)25-3/h4-7H,8-10H2,1-3H3,(H,19,22)(H,20,21,23)