ethyl 4-[5-chloranyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[5-chloranyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[5-chloro-1-(2-naphthylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[5-chloro-1-(2-naphthalenylmethyl)-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-chloro-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[5-chloro-1-(2-naphthylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C26H27ClN2O2 MolecularWeight: 434.95778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=CC4=CC=CC=C4C=C3)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=CC4=CC=CC=C4C=C3)C=CC(=C2)Cl

InChI

InChI=1S/C26H27ClN2O2/c1-4-31-25(30)16-26(2,3)15-24-28-22-14-21(27)11-12-23(22)29(24)17-18-9-10-19-7-5-6-8-20(19)13-18/h5-14H,4,15-17H2,1-3H3