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

Systemtic Name: propan-2-yl 2-[6-(3,5-dimethylphenyl)carbonyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-3-enoate Openeye Name: isopropyl 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-dioxo-pyrimidin-1-yl]but-3-enoate CAS Name: 2-[6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethyl-2,4-dioxo-1-pyrimidinyl]-3-butenoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-dioxopyrimidin-1-yl]but-3-enoate Traditional Name: 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-diketo-pyrimidin-1-yl]but-3-enoic acid isopropyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)OC(C)C)C(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)OC(C)C)C(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H26N2O5/c1-7-16-18(19(25)15-10-13(5)9-14(6)11-15)24(22(28)23-20(16)26)17(8-2)21(27)29-12(3)4/h8-12,17H,2,7H2,1,3-6H3,(H,23,26,28)