1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 8-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]octanoic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 8-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]octanoic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 8-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]octanoic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 8-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]octanoic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 8-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]octanoic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; 8-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]caprylic acid Formula: C41H57NO9 MolecularWeight: 707.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCCC(=O)O)O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1CCCCCCCC(=O)O)O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

InChI

InChI=1S/C21H36O5.C20H21NO4/c1-2-3-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-4-6-9-12-21(25)26;1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h13-14,16-18,20,22,24H,2-12,15H2,1H3,(H,25,26);5-8,10-12H,9H2,1-4H3/b14-13+;