2-[2-(3-methyl-1-phenyl-butyl)-3-oxidanylidene-5-(phenoxymethyl)-1H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methyl-1-phenyl-butyl)-3-oxidanylidene-5-(phenoxymethyl)-1H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[2-(3-methyl-1-phenyl-butyl)-3-oxo-5-(phenoxymethyl)isoindolin-1-yl]acetic acid CAS Name: 2-[2-(3-methyl-1-phenylbutyl)-3-oxo-5-(phenoxymethyl)-1H-isoindol-1-yl]acetic acid IUPAC Name: 2-[2-(3-methyl-1-phenylbutyl)-3-oxo-5-(phenoxymethyl)-1H-isoindol-1-yl]acetic acid Traditional Name: 2-[3-keto-2-(3-methyl-1-phenyl-butyl)-5-(phenoxymethyl)isoindolin-1-yl]acetic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)N2C(C3=C(C2=O)C=C(C=C3)COC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)N2C(C3=C(C2=O)C=C(C=C3)COC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H29NO4/c1-19(2)15-25(21-9-5-3-6-10-21)29-26(17-27(30)31)23-14-13-20(16-24(23)28(29)32)18-33-22-11-7-4-8-12-22/h3-14,16,19,25-26H,15,17-18H2,1-2H3,(H,30,31)