4-[5-methoxy-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-methoxy-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-methoxy-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-methoxy-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-methoxy-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-methoxy-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O3S/c1-28-18-11-12-21-20(14-18)24-23(29-13-5-10-22(26)27)25(21)15-17-8-4-7-16-6-2-3-9-19(16)17/h2-4,6-9,11-12,14H,5,10,13,15H2,1H3,(H,26,27)