(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O4/c1-16-10-21-19(12-24(28)30-22(21)11-17(16)2)15-29-23(27)9-8-18-13-25-26(14-18)20-6-4-3-5-7-20/h3-7,10-14H,8-9,15H2,1-2H3