2-(azepan-1-yl)ethyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: 2-(azepan-1-yl)ethyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: 2-(azepan-1-yl)ethyl (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl (Z)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid 2-(azepan-1-yl)ethyl ester Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CCC(=O)OCCN3CCCCCC3)OC

InChI

InChI=1S/C25H35NO6/c1-17(9-11-21(27)31-15-14-26-12-6-4-5-7-13-26)8-10-19-23(28)22-20(16-32-25(22)29)18(2)24(19)30-3/h8,28H,4-7,9-16H2,1-3H3/b17-8-