[(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(2E)-7-methyl-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C28H21NO4 MolecularWeight: 435.47064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)OC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)OC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H21NO4/c1-18-24(32-26(30)15-12-19-8-4-3-5-9-19)14-13-22-27(31)25(33-28(18)22)16-20-17-29(2)23-11-7-6-10-21(20)23/h3-17H,1-2H3/b15-12+,25-16+