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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-4-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=C2OCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)N

InChI

InChI=1S/C20H20N2O4/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)