2-(2-methylpyrazolidin-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-(2-methylpyrazolidin-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-(2-methylpyrazolidin-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-(2-methyl-1-pyrazolidinyl)ethyl ester IUPAC Name: 2-(2-methylpyrazolidin-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-(2-methylpyrazolidin-1-yl)ethyl ester Formula: C23H32N2O6 MolecularWeight: 432.50998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCCN3C)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(/C)\CCC(=O)OCCN3CCCN3C)OC

InChI

InChI=1S/C23H32N2O6/c1-15(7-9-19(26)30-13-12-25-11-5-10-24(25)3)6-8-17-21(27)20-18(14-31-23(20)28)16(2)22(17)29-4/h6,27H,5,7-14H2,1-4H3/b15-6-