[4-[[ethyl(methyl)carbamoyl]amino]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl] (E)-4-methylhex-4-enoate

Systemtic Name: [4-[[ethyl(methyl)carbamoyl]amino]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl] (E)-4-methylhex-4-enoate Openeye Name: [4-[[ethyl(methyl)carbamoyl]amino]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl] (E)-4-methylhex-4-enoate CAS Name: (E)-4-methyl-4-hexenoic acid [4-[[[ethyl(methyl)amino]-oxomethyl]amino]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl] ester IUPAC Name: [4-[[ethyl(methyl)carbamoyl]amino]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl] (E)-4-methylhex-4-enoate Traditional Name: (E)-4-methylhex-4-enoic acid [4-[[ethyl(methyl)carbamoyl]amino]-3-keto-6-methoxy-7-methyl-phthalan-5-yl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)NC1=C(C(=C(C2=C1C(=O)OC2)C)OC)OC(=O)CCC(=CC)C

Isomeric SMILES

CCN(C)C(=O)NC1=C(C(=C(C2=C1C(=O)OC2)C)OC)OC(=O)CC/C(=C/C)/C

InChI

InChI=1S/C21H28N2O6/c1-7-12(3)9-10-15(24)29-19-17(22-21(26)23(5)8-2)16-14(11-28-20(16)25)13(4)18(19)27-6/h7H,8-11H2,1-6H3,(H,22,26)/b12-7+