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

Systemtic Name: 2-[(1Z)-3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethylidene)inden-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(1Z)-3-(2-amino-2-oxo-ethyl)-1-benzylidene-2-ethyl-inden-4-yl]-2-oxo-acetic acid CAS Name: 2-[(1Z)-3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethylene)-4-indenyl]-2-oxoacetic acid IUPAC Name: 2-[(1Z)-3-(2-amino-2-oxoethyl)-1-benzylidene-2-ethylinden-4-yl]-2-oxoacetic acid Traditional Name: 2-[(1Z)-3-(2-amino-2-keto-ethyl)-1-benzal-2-ethyl-inden-4-yl]-2-keto-acetic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1=CC3=CC=CC=C3)C=CC=C2C(=O)C(=O)O)CC(=O)N

Isomeric SMILES

CCC\1=C(C2=C(/C1=C\C3=CC=CC=C3)C=CC=C2C(=O)C(=O)O)CC(=O)N

InChI

InChI=1S/C22H19NO4/c1-2-14-17(11-13-7-4-3-5-8-13)15-9-6-10-16(21(25)22(26)27)20(15)18(14)12-19(23)24/h3-11H,2,12H2,1H3,(H2,23,24)(H,26,27)/b17-11-