4-[2-[4-chloranyl-2-(3-cyanophenyl)carbonyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[4-chloranyl-2-(3-cyanophenyl)carbonyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[4-chloro-2-[(3-cyanophenyl)-oxomethyl]phenoxy]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]acetyl]amino]-3-methyl-benzoic acid Formula: C24H17ClN2O5 MolecularWeight: 448.85518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H17ClN2O5/c1-14-9-17(24(30)31)5-7-20(14)27-22(28)13-32-21-8-6-18(25)11-19(21)23(29)16-4-2-3-15(10-16)12-26/h2-11H,13H2,1H3,(H,27,28)(H,30,31)