2-[2-(naphthalen-2-ylmethyl)-3-oxidanylidene-5-(phenoxymethyl)-1H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(naphthalen-2-ylmethyl)-3-oxidanylidene-5-(phenoxymethyl)-1H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[2-(2-naphthylmethyl)-3-oxo-5-(phenoxymethyl)isoindolin-1-yl]acetic acid CAS Name: 2-[2-(2-naphthalenylmethyl)-3-oxo-5-(phenoxymethyl)-1H-isoindol-1-yl]acetic acid IUPAC Name: 2-[2-(naphthalen-2-ylmethyl)-3-oxo-5-(phenoxymethyl)-1H-isoindol-1-yl]acetic acid Traditional Name: 2-[3-keto-2-(2-naphthylmethyl)-5-(phenoxymethyl)isoindolin-1-yl]acetic acid Formula: C28H23NO4 MolecularWeight: 437.48652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC3=C(C=C2)C(N(C3=O)CC4=CC5=CC=CC=C5C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC3=C(C=C2)C(N(C3=O)CC4=CC5=CC=CC=C5C=C4)CC(=O)O

InChI

InChI=1S/C28H23NO4/c30-27(31)16-26-24-13-11-20(18-33-23-8-2-1-3-9-23)15-25(24)28(32)29(26)17-19-10-12-21-6-4-5-7-22(21)14-19/h1-15,26H,16-18H2,(H,30,31)