3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-(1-naphthylmethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[(1-naphthalenylmethylamino)-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(naphthalen-1-ylmethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-(1-naphthylmethylcarbamoyl)-4-(phenoxymethyl)phenyl]propionic acid Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO4/c30-27(31)16-15-22-14-13-20(19-33-24-10-2-1-3-11-24)17-26(22)28(32)29-18-23-9-6-8-21-7-4-5-12-25(21)23/h1-14,17H,15-16,18-19H2,(H,29,32)(H,30,31)