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

Systemtic Name: 2-[5-butan-2-yl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butan-2-yl-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butan-2-yl-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3,5-dimethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C29H31NO5 MolecularWeight: 473.56014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO5/c1-5-18(2)20-11-12-24-22(13-20)23(16-27(31)32)28(30-24)21-14-25(33-3)29(26(15-21)34-4)35-17-19-9-7-6-8-10-19/h6-15,18,30H,5,16-17H2,1-4H3,(H,31,32)