2-[(Z)-4-(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]benzoic acid

Systemtic Name: 2-[(Z)-4-(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]benzoic acid Openeye Name: 2-[(Z)-3-(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-methyl-prop-1-enyl]benzoic acid CAS Name: 2-[(Z)-4-(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-en-2-yl]benzoic acid IUPAC Name: 2-[(Z)-4-(4-amino-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]benzoic acid Traditional Name: 2-[(Z)-3-(4-amino-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-1-methyl-prop-1-enyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N)CC=C(C)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N)C/C=C(/C)\C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C21H21NO5/c1-11(13-6-4-5-7-14(13)20(23)24)8-9-15-18(22)17-16(10-27-21(17)25)12(2)19(15)26-3/h4-8H,9-10,22H2,1-3H3,(H,23,24)/b11-8-