2-[[4-chloranyl-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-chloranyl-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-chloro-2-[2-(1-naphthyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-chloro-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-chloro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[4-chloro-2-[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(22-12-6-9-18-7-2-4-10-23(18)22)26(30)29-25-16-21(28)14-13-20(25)15-19-8-3-5-11-24(19)27(31)32/h2-14,16-17H,15H2,1H3,(H,29,30)(H,31,32)