2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-1-hexyl-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-hexyl-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutyric acid Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=C1C=CC(=C2)OC(CC)C(=O)O)CC(=O)N)C

Isomeric SMILES

CCCCCCN1C(=C(C2=C1C=CC(=C2)OC(CC)C(=O)O)CC(=O)N)C

InChI

InChI=1S/C21H30N2O4/c1-4-6-7-8-11-23-14(3)16(13-20(22)24)17-12-15(9-10-18(17)23)27-19(5-2)21(25)26/h9-10,12,19H,4-8,11,13H2,1-3H3,(H2,22,24)(H,25,26)