(Z)-6-[4-(dimethylcarbamoylamino)-6-ethyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-[4-(dimethylcarbamoylamino)-6-ethyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[4-(dimethylcarbamoylamino)-6-ethyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[4-[[dimethylamino(oxo)methyl]amino]-6-ethyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[4-(dimethylcarbamoylamino)-6-ethyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-[4-(dimethylcarbamoylamino)-6-ethyl-3-keto-7-methyl-phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)CCC(=O)O)NC(=O)N(C)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(/C)\CCC(=O)O)NC(=O)N(C)C)C(=O)OC2)C

InChI

InChI=1S/C21H28N2O5/c1-6-14-13(3)16-11-28-20(26)18(16)19(22-21(27)23(4)5)15(14)9-7-12(2)8-10-17(24)25/h7H,6,8-11H2,1-5H3,(H,22,27)(H,24,25)/b12-7-