(2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-6-oxidanylidene-2-propan-2-yl-non-4-ynoic acid

Systemtic Name: (2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-6-oxidanylidene-2-propan-2-yl-non-4-ynoic acid Openeye Name: (2S,7R)-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-6-oxo-non-4-ynoic acid CAS Name: (2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-6-oxo-2-propan-2-yl-4-nonynoic acid IUPAC Name: (2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-6-oxo-2-propan-2-ylnon-4-ynoic acid Traditional Name: (2S,7R)-2-isopropyl-6-keto-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-non-4-ynoic acid Formula: C25H36O6 MolecularWeight: 432.54974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CC(=O)C(CC1=CC(=C(C=C1)OC)OCCCOC)C(C)C)C(=O)O

Isomeric SMILES

CC(C)[C@H](CC#CC(=O)[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C(C)C)C(=O)O

InChI

InChI=1S/C25H36O6/c1-17(2)20(25(27)28)9-7-10-22(26)21(18(3)4)15-19-11-12-23(30-6)24(16-19)31-14-8-13-29-5/h11-12,16-18,20-21H,8-9,13-15H2,1-6H3,(H,27,28)/t20-,21+/m0/s1