3-[4-[(2,6-dimethylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-[(2,6-dimethylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Openeye Name: 3-[4-[(2,6-dimethylphenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propanoic acid CAS Name: 3-[4-[(2,6-dimethylphenoxy)methyl]-2-[(1-naphthalenylmethylamino)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2,6-dimethylphenoxy)methyl]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid Traditional Name: 3-[4-[(2,6-dimethylphenoxy)methyl]-2-(1-naphthylmethylcarbamoyl)phenyl]propionic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO4/c1-20-7-5-8-21(2)29(20)35-19-22-13-14-24(15-16-28(32)33)27(17-22)30(34)31-18-25-11-6-10-23-9-3-4-12-26(23)25/h3-14,17H,15-16,18-19H2,1-2H3,(H,31,34)(H,32,33)