[5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 4-(phenoxycarbonylamino)butanoate

Systemtic Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 4-(phenoxycarbonylamino)butanoate Openeye Name: [5-(4-acetoxy-1-methyl-butyl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] 4-(phenoxycarbonylamino)butanoate CAS Name: 4-[[oxo(phenoxy)methyl]amino]butanoic acid [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylene-2-oxo-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester IUPAC Name: [5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 4-(phenoxycarbonylamino)butanoate Traditional Name: 4-(carbophenoxyamino)butyric acid [5-(4-acetoxy-1-methyl-butyl)-2-keto-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-4-yl] ester Formula: C28H35NO8 MolecularWeight: 513.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)CCCNC(=O)OC3=CC=CC=C3)C(C)CCCOC(=O)C

Isomeric SMILES

CC1=C(C(C2C(C1)OC(=O)C2=C)OC(=O)CCCNC(=O)OC3=CC=CC=C3)C(C)CCCOC(=O)C

InChI

InChI=1S/C28H35NO8/c1-17(10-9-15-34-20(4)30)24-18(2)16-22-25(19(3)27(32)36-22)26(24)37-23(31)13-8-14-29-28(33)35-21-11-6-5-7-12-21/h5-7,11-12,17,22,25-26H,3,8-10,13-16H2,1-2,4H3,(H,29,33)