2-[3-[(Z)-C-aminocarbonyl-N-oxidanyl-carbonimidoyl]-2-ethyl-6-methyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-[(Z)-C-aminocarbonyl-N-oxidanyl-carbonimidoyl]-2-ethyl-6-methyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-hydroxy-carbonimidoyl]-2-ethyl-6-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-[(1Z)-2-amino-1-hydroxyimino-2-oxoethyl]-2-ethyl-6-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-hydroxycarbonimidoyl]-2-ethyl-6-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-acetohydroximoyl)-1-benzyl-2-ethyl-6-methyl-indol-4-yl]oxyacetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-3-15-20(21(24-29)22(23)28)19-16(25(15)11-14-7-5-4-6-8-14)9-13(2)10-17(19)30-12-18(26)27/h4-10,29H,3,11-12H2,1-2H3,(H2,23,28)(H,26,27)/b24-21-