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

Systemtic Name: 3-butoxy-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-butoxy-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-butoxy-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-butoxy-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-butoxy-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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=C3)C(=O)O)OCCCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OCCCC

InChI

InChI=1S/C28H36N2O4/c1-4-7-9-20(6-3)27(31)29-24-13-12-21-14-15-30(25(21)18-24)19-23-11-10-22(28(32)33)17-26(23)34-16-8-5-2/h10-15,17-18,20H,4-9,16,19H2,1-3H3,(H,29,31)(H,32,33)