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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-methoxy-chromen-4-yl)methyl ester Formula: C24H20N2O5 MolecularWeight: 416.426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O5/c1-29-20-8-9-21-19(11-24(28)31-22(21)12-20)16-30-23(27)10-7-18-13-25-26(15-18)14-17-5-3-2-4-6-17/h2-13,15H,14,16H2,1H3/b10-7+