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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-hexyl-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-hexyl-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-hexyl-2-methyl-indol-5-yl]oxybutyric acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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