4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3,5-dimethoxy-benzoic acid

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3,5-dimethoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3,5-dimethoxy-benzoic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3,5-dimethoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3,5-dimethoxybenzoic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3,5-dimethoxy-benzoic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3OC)C(=O)O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3OC)C(=O)O)OC

InChI

InChI=1S/C26H32N2O5/c1-5-7-8-17(6-2)25(29)27-20-10-9-18-11-12-28(22(18)15-20)16-21-23(32-3)13-19(26(30)31)14-24(21)33-4/h9-15,17H,5-8,16H2,1-4H3,(H,27,29)(H,30,31)