3-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-5-methyl-phenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-5-methyl-phenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propanoic acid CAS Name: 3-[4-[(2-chloro-5-methylphenoxy)methyl]-2-[(1-naphthalenylmethylamino)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-5-methylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Traditional Name: 3-[4-[(2-chloro-5-methyl-phenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propionic acid Formula: C29H26ClNO4 MolecularWeight: 487.97404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=CC(=C(C=C2)CCC(=O)O)C(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H26ClNO4/c1-19-9-13-26(30)27(15-19)35-18-20-10-11-22(12-14-28(32)33)25(16-20)29(34)31-17-23-7-4-6-21-5-2-3-8-24(21)23/h2-11,13,15-16H,12,14,17-18H2,1H3,(H,31,34)(H,32,33)