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

Systemtic Name: 2-[[4-[(2-methylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-[(2-methylphenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[4-[(2-methylphenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-[(2-methylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[4-[(2-methylphenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]benzyl]benzoic acid Formula: C35H31NO4 MolecularWeight: 529.62494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=CC(=C(C=C2)CC3=CC=CC=C3C(=O)O)NC(=O)C(C)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1OCC2=CC(=C(C=C2)CC3=CC=CC=C3C(=O)O)NC(=O)C(C)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C35H31NO4/c1-23-10-3-8-17-33(23)40-22-25-18-19-28(21-27-12-5-7-15-31(27)35(38)39)32(20-25)36-34(37)24(2)29-16-9-13-26-11-4-6-14-30(26)29/h3-20,24H,21-22H2,1-2H3,(H,36,37)(H,38,39)