(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O4/c1-17-8-10-22-21(12-24(29)31-25(22)18(17)2)16-30-23(28)11-9-20-13-26-27(15-20)14-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3/b11-9+