2-[1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]oxyethanoic acid

Systemtic Name: 2-[1-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-3-(phenylmethyl)indol-7-yl]oxyethanoic acid Openeye Name: 2-[3-benzyl-1-(2-hydrazino-2-oxo-ethyl)-2-methyl-indol-7-yl]oxyacetic acid CAS Name: 2-[[1-(2-hydrazinyl-2-oxoethyl)-2-methyl-3-(phenylmethyl)-7-indolyl]oxy]acetic acid IUPAC Name: 2-[3-benzyl-1-(2-hydrazinyl-2-oxoethyl)-2-methylindol-7-yl]oxyacetic acid Traditional Name: 2-[3-benzyl-1-(2-hydrazino-2-keto-ethyl)-2-methyl-indol-7-yl]oxyacetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)NN)C(=CC=C2)OCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)NN)C(=CC=C2)OCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-13-16(10-14-6-3-2-4-7-14)15-8-5-9-17(27-12-19(25)26)20(15)23(13)11-18(24)22-21/h2-9H,10-12,21H2,1H3,(H,22,24)(H,25,26)