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

Systemtic Name: 3-(azepan-1-yl)propyl (Z)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: 3-(azepan-1-yl)propyl (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 3-(1-azepanyl)propyl ester IUPAC Name: 3-(azepan-1-yl)propyl (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 3-(azepan-1-yl)propyl ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCCN3CCCCCC3)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CCC(=O)OCCCN3CCCCCC3)OC

InChI

InChI=1S/C26H37NO6/c1-18(10-12-22(28)32-16-8-15-27-13-6-4-5-7-14-27)9-11-20-24(29)23-21(17-33-26(23)30)19(2)25(20)31-3/h9,29H,4-8,10-17H2,1-3H3/b18-9-