2-[[(Z)-3-(1-benzofuran-2-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[(Z)-3-(1-benzofuran-2-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[(Z)-3-(benzofuran-2-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(Z)-3-(2-benzofuranyl)-1-oxobut-2-enyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[(Z)-3-(1-benzofuran-2-yl)but-2-enoyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[(Z)-3-(benzofuran-2-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C/C(=C/C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)/C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H19NO6/c1-12(17-9-13-6-4-5-7-16(13)28-17)8-20(23)22-15-11-19(27-3)18(26-2)10-14(15)21(24)25/h4-11H,1-3H3,(H,22,23)(H,24,25)/b12-8-