2-[3-(2-bromanylethanoylamino)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-bromanylethanoylamino)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-[(2-bromoacetyl)amino]-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-[(2-bromo-1-oxoethyl)amino]-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-[(2-bromoacetyl)amino]-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-benzyl-3-[(2-bromoacetyl)amino]-2-ethyl-indol-4-yl]oxyacetic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)NC(=O)CBr

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)NC(=O)CBr

InChI

InChI=1S/C21H21BrN2O4/c1-2-15-21(23-18(25)11-22)20-16(9-6-10-17(20)28-13-19(26)27)24(15)12-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,23,25)(H,26,27)