[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O4/c1-13-18(20(26)23-15(3)22-13)8-9-19(25)28-14(2)21(27)24-11-10-16-6-4-5-7-17(16)12-24/h4-7,14H,8-12H2,1-3H3,(H,22,23,26)