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

Systemtic Name: 2-[(Z)-4-(4-azanyl-6,7-dimethyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]benzoic acid Openeye Name: 2-[(Z)-3-(4-amino-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)-1-methyl-prop-1-enyl]benzoic acid CAS Name: 2-[(Z)-4-(4-amino-6,7-dimethyl-3-oxo-1H-isobenzofuran-5-yl)but-2-en-2-yl]benzoic acid IUPAC Name: 2-[(Z)-4-(4-amino-6,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]benzoic acid Traditional Name: 2-[(Z)-3-(4-amino-3-keto-6,7-dimethyl-phthalan-5-yl)-1-methyl-prop-1-enyl]benzoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-11(14-6-4-5-7-16(14)20(23)24)8-9-15-12(2)13(3)17-10-26-21(25)18(17)19(15)22/h4-8H,9-10,22H2,1-3H3,(H,23,24)/b11-8-