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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-cyclohexyl-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-cyclohexyl-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-cyclohexyl-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-cyclohexyl-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-cyclohexyl-2-methyl-indol-5-yl]oxybutyric acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3CCCCC3)C=CC(=C2)OCCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1C3CCCCC3)C=CC(=C2)OCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H28N2O4/c1-14-17(13-20(22)24)18-12-16(27-11-5-8-21(25)26)9-10-19(18)23(14)15-6-3-2-4-7-15/h9-10,12,15H,2-8,11,13H2,1H3,(H2,22,24)(H,25,26)