4-[3-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-diazanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[1-benzyl-3-(2-hydrazino-2-oxo-ethyl)-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-hydrazinyl-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[1-benzyl-3-(2-hydrazinyl-2-oxoethyl)-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[1-benzyl-3-(2-hydrazino-2-keto-ethyl)-2-methyl-indol-5-yl]oxybutyric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CC(=O)NN

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CC(=O)NN

InChI

InChI=1S/C22H25N3O4/c1-15-18(13-21(26)24-23)19-12-17(29-11-5-8-22(27)28)9-10-20(19)25(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14,23H2,1H3,(H,24,26)(H,27,28)