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

Systemtic Name: [4-[aminocarbonyl(heptan-3-yl)amino]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl] (E)-4-methylhex-4-enoate Openeye Name: [4-[carbamoyl(1-ethylpentyl)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-[carbamoyl(heptan-3-yl)amino]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl] ester IUPAC Name: [4-[carbamoyl(heptan-3-yl)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-[carbamoyl(1-ethylpentyl)amino]-3-keto-6-methoxy-7-methyl-phthalan-5-yl] ester Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N(C1=C(C(=C(C2=C1C(=O)OC2)C)OC)OC(=O)CCC(=CC)C)C(=O)N

Isomeric SMILES

CCCCC(CC)N(C1=C(C(=C(C2=C1C(=O)OC2)C)OC)OC(=O)CC/C(=C/C)/C)C(=O)N

InChI

InChI=1S/C25H36N2O6/c1-7-10-11-17(9-3)27(25(26)30)21-20-18(14-32-24(20)29)16(5)22(31-6)23(21)33-19(28)13-12-15(4)8-2/h8,17H,7,9-14H2,1-6H3,(H2,26,30)/b15-8+