sodium (5E)-5-hydroxyimino-3-[1-(phenylmethyl)indol-3-yl]hexanoate

Systemtic Name: sodium (5E)-5-hydroxyimino-3-[1-(phenylmethyl)indol-3-yl]hexanoate Openeye Name: sodium (5E)-3-(1-benzylindol-3-yl)-5-hydroxyimino-hexanoate CAS Name: sodium (5E)-5-hydroxyimino-3-[1-(phenylmethyl)-3-indolyl]hexanoate IUPAC Name: sodium (5E)-3-(1-benzylindol-3-yl)-5-hydroxyiminohexanoate Traditional Name: sodium (5E)-3-(1-benzylindol-3-yl)-5-hydroximino-hexanoate Formula: C21H21N2NaO3 MolecularWeight: 372.39281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)CC(CC(=O)[O-])C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C/C(=N\O)/CC(CC(=O)[O-])C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H22N2O3.Na/c1-15(22-26)11-17(12-21(24)25)19-14-23(13-16-7-3-2-4-8-16)20-10-6-5-9-18(19)20;/h2-10,14,17,26H,11-13H2,1H3,(H,24,25);/q;+1/p-1/b22-15+;