2-(1H-imidazol-2-yl)-2-(naphthalen-1-ylmethoxy)-2-phenyl-ethanoic acid hydrate

Systemtic Name: 2-(1H-imidazol-2-yl)-2-(naphthalen-1-ylmethoxy)-2-phenyl-ethanoic acid hydrate Openeye Name: 2-(1H-imidazol-2-yl)-2-(1-naphthylmethoxy)-2-phenyl-acetic acid hydrate CAS Name: 2-(1H-imidazol-2-yl)-2-(1-naphthalenylmethoxy)-2-phenylacetic acid hydrate IUPAC Name: 2-(1H-imidazol-2-yl)-2-(naphthalen-1-ylmethoxy)-2-phenylacetic acid hydrate Traditional Name: 2-(1H-imidazol-2-yl)-2-(1-naphthylmethoxy)-2-phenyl-acetic acid hydrate Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CN2)(C(=O)O)OCC3=CC=CC4=CC=CC=C43.O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CN2)(C(=O)O)OCC3=CC=CC4=CC=CC=C43.O

InChI

InChI=1S/C22H18N2O3.H2O/c25-21(26)22(20-23-13-14-24-20,18-10-2-1-3-11-18)27-15-17-9-6-8-16-7-4-5-12-19(16)17;/h1-14H,15H2,(H,23,24)(H,25,26);1H2