(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N(N=C3C)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=C(N(N=C3C)C)C)C

InChI

InChI=1S/C21H24N2O4/c1-12-6-7-18-16(10-20(25)27-21(18)13(12)2)11-26-19(24)9-8-17-14(3)22-23(5)15(17)4/h6-7,10H,8-9,11H2,1-5H3