methyl 2-[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-3-enoate

Systemtic Name: methyl 2-[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-3-enoate Openeye Name: methyl 2-[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]but-3-enoate CAS Name: 2-[6-[(3,5-dimethylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]-3-butenoic acid methyl ester IUPAC Name: methyl 2-[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]but-3-enoate Traditional Name: 2-[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]but-3-enoic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2C(C=C)C(=O)OC)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2C(C=C)C(=O)OC)C(C)C)C

InChI

InChI=1S/C21H24N2O5/c1-7-15(20(26)28-6)23-17(16(11(2)3)19(25)22-21(23)27)18(24)14-9-12(4)8-13(5)10-14/h7-11,15H,1H2,2-6H3,(H,22,25,27)