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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxybutyric acid Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C22H24N2O4/c1-15-17(13-20(23)25)22-18(24(15)14-16-7-3-2-4-8-16)9-5-10-19(22)28-12-6-11-21(26)27/h2-5,7-10H,6,11-14H2,1H3,(H2,23,25)(H,26,27)