3-oxidanyl-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate

Systemtic Name: 3-oxidanyl-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate Openeye Name: 3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate CAS Name: 3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate IUPAC Name: 3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoate Traditional Name: 3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propionate Formula: C18H17N2O3- MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(C=CC=C3N2)C(CC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(C=CC=C3N2)C(CC(=O)[O-])O

InChI

InChI=1S/C18H18N2O3/c21-15(11-17(22)23)13-7-4-8-14-18(13)20-16(19-14)10-9-12-5-2-1-3-6-12/h1-8,15,21H,9-11H2,(H,19,20)(H,22,23)/p-1