2-[5-butoxy-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butoxy-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3,5-dimethoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid Formula: C29H31NO6 MolecularWeight: 489.55954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C(=C3)OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H31NO6/c1-4-5-13-35-21-11-12-24-22(16-21)23(17-27(31)32)28(30-24)20-14-25(33-2)29(26(15-20)34-3)36-18-19-9-7-6-8-10-19/h6-12,14-16,30H,4-5,13,17-18H2,1-3H3,(H,31,32)