2-[3-[(Z)-C-aminocarbonyl-N-oxidanyl-carbonimidoyl]-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-[(Z)-C-aminocarbonyl-N-oxidanyl-carbonimidoyl]-2-ethyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-hydroxy-carbonimidoyl]-2-ethyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-[(1Z)-2-amino-1-hydroxyimino-2-oxoethyl]-2-ethyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-hydroxycarbonimidoyl]-2-ethylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-acetohydroximoyl)-1-benzyl-2-ethyl-indol-4-yl]oxyacetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=NO)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-2-14-19(20(23-28)21(22)27)18-15(9-6-10-16(18)29-12-17(25)26)24(14)11-13-7-4-3-5-8-13/h3-10,28H,2,11-12H2,1H3,(H2,22,27)(H,25,26)/b23-20-