3-[2-[methyl-(phenylmethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[methyl-(phenylmethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[benzyl(methyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[benzyl(methyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[benzyl(methyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C25H25NO4/c1-26(17-19-8-4-2-5-9-19)25(29)23-16-20(12-13-21(23)14-15-24(27)28)18-30-22-10-6-3-7-11-22/h2-13,16H,14-15,17-18H2,1H3,(H,27,28)