2-[[2-chloranyl-6-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-chloranyl-6-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-chloro-6-[2-(1-naphthyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-chloro-6-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-chloro-6-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[2-chloro-6-[2-(1-naphthyl)propanoylamino]benzyl]benzoic acid Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=CC=C3)Cl)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=CC=C3)Cl)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H22ClNO3/c1-17(20-13-6-10-18-8-2-4-11-21(18)20)26(30)29-25-15-7-14-24(28)23(25)16-19-9-3-5-12-22(19)27(31)32/h2-15,17H,16H2,1H3,(H,29,30)(H,31,32)