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

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-methoxybenzoate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C27H21NO5 MolecularWeight: 439.45934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO5/c1-16-23(33-27(30)17-7-6-8-19(13-17)31-3)12-11-21-25(29)24(32-26(16)21)14-18-15-28(2)22-10-5-4-9-20(18)22/h4-15H,1-3H3/b24-14+