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

Systemtic Name: 3-[2-(1-naphthalen-2-ylethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[1-(2-naphthyl)ethylcarbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[1-(2-naphthalenyl)ethylamino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(1-naphthalen-2-ylethylcarbamoyl)-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[1-(2-naphthyl)ethylcarbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C29H27NO4/c1-20(24-14-13-22-7-5-6-8-25(22)18-24)30-29(33)27-17-21(11-12-23(27)15-16-28(31)32)19-34-26-9-3-2-4-10-26/h2-14,17-18,20H,15-16,19H2,1H3,(H,30,33)(H,31,32)