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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-4-yl]oxyacetic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)N

InChI

InChI=1S/C21H22N2O4/c1-2-16-15(11-19(22)24)21-17(9-6-10-18(21)27-13-20(25)26)23(16)12-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H2,22,24)(H,25,26)