4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-octyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-octyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-2-methyl-1-octyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-octyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-2-methyl-1-octylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-2-methyl-1-octyl-indol-5-yl]oxybutyric acid Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=C1C=CC(=C2)OCCCC(=O)O)CC(=O)N)C

InChI

InChI=1S/C23H34N2O4/c1-3-4-5-6-7-8-13-25-17(2)19(16-22(24)26)20-15-18(11-12-21(20)25)29-14-9-10-23(27)28/h11-12,15H,3-10,13-14,16H2,1-2H3,(H2,24,26)(H,27,28)