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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(cyclohexylmethyl)-2-methyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-(cyclohexylmethyl)-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-1-(cyclohexylmethyl)-2-methyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-(cyclohexylmethyl)-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-(cyclohexylmethyl)-2-methyl-indol-5-yl]oxybutyric acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3CCCCC3)C=CC(=C2)OCCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3CCCCC3)C=CC(=C2)OCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C22H30N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h9-10,12,16H,2-8,11,13-14H2,1H3,(H2,23,25)(H,26,27)