2-[(1Z)-3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethylidene)inden-4-yl]oxyethanoic acid

Systemtic Name: 2-[(1Z)-3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethylidene)inden-4-yl]oxyethanoic acid Openeye Name: 2-[(1Z)-3-(2-amino-2-oxo-ethyl)-1-benzylidene-2-ethyl-inden-4-yl]oxyacetic acid CAS Name: 2-[[(1Z)-3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethylene)-4-indenyl]oxy]acetic acid IUPAC Name: 2-[(1Z)-3-(2-amino-2-oxoethyl)-1-benzylidene-2-ethylinden-4-yl]oxyacetic acid Traditional Name: 2-[(1Z)-3-(2-amino-2-keto-ethyl)-1-benzal-2-ethyl-inden-4-yl]oxyacetic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1=CC3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)N

Isomeric SMILES

CCC\1=C(C2=C(/C1=C\C3=CC=CC=C3)C=CC=C2OCC(=O)O)CC(=O)N

InChI

InChI=1S/C22H21NO4/c1-2-15-17(11-14-7-4-3-5-8-14)16-9-6-10-19(27-13-21(25)26)22(16)18(15)12-20(23)24/h3-11H,2,12-13H2,1H3,(H2,23,24)(H,25,26)/b17-11-