2-[3-(2-azanylethanoyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanylethanoyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid Openeye Name: 2-[3-(2-aminoacetyl)-1-benzyl-2-methyl-indol-5-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-1-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-aminoacetyl)-1-benzyl-2-methylindol-5-yl]oxyacetic acid Traditional Name: 2-(1-benzyl-3-glycyl-2-methyl-indol-5-yl)oxyacetic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)C(=O)CN

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)C(=O)CN

InChI

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