3-[[(Z)-3-(3-azanyl-2-ethanoyl-1-benzofuran-5-yl)but-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(Z)-3-(3-azanyl-2-ethanoyl-1-benzofuran-5-yl)but-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[(Z)-3-(2-acetyl-3-amino-benzofuran-5-yl)but-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[(Z)-3-(2-acetyl-3-amino-5-benzofuranyl)-1-oxobut-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)but-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[(Z)-3-(2-acetyl-3-amino-benzofuran-5-yl)but-2-enoyl]amino]-4-methoxy-benzoic acid Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)O)OC)C2=CC3=C(C=C2)OC(=C3N)C(=O)C

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)O)OC)/C2=CC3=C(C=C2)OC(=C3N)C(=O)C

InChI

InChI=1S/C22H20N2O6/c1-11(13-4-6-17-15(9-13)20(23)21(30-17)12(2)25)8-19(26)24-16-10-14(22(27)28)5-7-18(16)29-3/h4-10H,23H2,1-3H3,(H,24,26)(H,27,28)/b11-8-