2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methyl-indol-1-yl]hexyl]propanedioic acid

Systemtic Name: 2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methyl-indol-1-yl]hexyl]propanedioic acid Openeye Name: 2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methyl-indol-1-yl]hexyl]propanedioic acid CAS Name: 2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-indolyl]hexyl]propanedioic acid IUPAC Name: 2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]hexyl]propanedioic acid Traditional Name: 2-[6-[5-methoxy-2-(4-methoxyphenyl)-3-methyl-indol-1-yl]hexyl]malonic acid Formula: C26H31NO6 MolecularWeight: 453.52744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC)CCCCCCC(C(=O)O)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC)CCCCCCC(C(=O)O)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H31NO6/c1-17-22-16-20(33-3)13-14-23(22)27(24(17)18-9-11-19(32-2)12-10-18)15-7-5-4-6-8-21(25(28)29)26(30)31/h9-14,16,21H,4-8,15H2,1-3H3,(H,28,29)(H,30,31)