4-(2-hydroxyethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(2-hydroxyethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(2-hydroxyethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(2-hydroxyethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(2-hydroxyethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(2-hydroxyethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCCO)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCCO)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H22N2O5/c1-15(17-7-6-16-4-2-3-5-18(16)13-17)12-22(28)26-21-14-19(23(29)25-10-11-27)8-9-20(21)24(30)31/h2-9,12-14,27H,10-11H2,1H3,(H,25,29)(H,26,28)(H,30,31)/b15-12-