1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethyl 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: 1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethyl 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: 1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid 1-[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]ethyl ester IUPAC Name: 1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid 1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OC(C)C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC1=NOC(=C1)C(=O)OC(C)C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-13-10-19(28-24-13)21(26)27-14(2)20-23-17-11-16(22)8-9-18(17)25(20)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3