(Z)-2-cyclohexyl-4-[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-enoic acid

Systemtic Name: (Z)-2-cyclohexyl-4-[6-methoxy-7-methyl-4-(methylamino)-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-enoic acid Openeye Name: (Z)-2-cyclohexyl-4-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]but-2-enoic acid CAS Name: (Z)-2-cyclohexyl-4-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]-2-butenoic acid IUPAC Name: (Z)-2-cyclohexyl-4-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]but-2-enoic acid Traditional Name: (Z)-2-cyclohexyl-4-[3-keto-6-methoxy-7-methyl-4-(methylamino)phthalan-5-yl]but-2-enoic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)NC)CC=C(C3CCCCC3)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)NC)C/C=C(/C3CCCCC3)\C(=O)O)OC

InChI

InChI=1S/C21H27NO5/c1-12-16-11-27-21(25)17(16)18(22-2)15(19(12)26-3)10-9-14(20(23)24)13-7-5-4-6-8-13/h9,13,22H,4-8,10-11H2,1-3H3,(H,23,24)/b14-9-