4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C32H30N2O4S MolecularWeight: 538.6566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=C(C=C3)CCCC(=O)O)NC(=O)C(C)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=C(C=C3)CCCC(=O)O)NC(=O)C(C)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H30N2O4S/c1-20(26-11-5-8-23-7-3-4-10-27(23)26)32(37)34-28-17-22(13-14-24(28)9-6-12-31(35)36)19-38-25-15-16-30-29(18-25)33-21(2)39-30/h3-5,7-8,10-11,13-18,20H,6,9,12,19H2,1-2H3,(H,34,37)(H,35,36)