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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

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