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

Systemtic Name: sodium 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxyethanoate Openeye Name: sodium 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxyacetate CAS Name: sodium 2-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetate IUPAC Name: sodium 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxyacetate Traditional Name: sodium 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxyacetate Formula: C20H19N2NaO4 MolecularWeight: 374.36563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)[O-])CC(=O)N.[Na+]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)[O-])CC(=O)N.[Na+]

InChI

InChI=1S/C20H20N2O4.Na/c1-13-15(10-18(21)23)20-16(8-5-9-17(20)26-12-19(24)25)22(13)11-14-6-3-2-4-7-14;/h2-9H,10-12H2,1H3,(H2,21,23)(H,24,25);/q;+1/p-1