ethyl 3-[[2-chloranyl-4-[(E)-hex-1-enyl]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[[2-chloranyl-4-[(E)-hex-1-enyl]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[2-chloro-4-[(E)-hex-1-enyl]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-[(E)-hex-1-enyl]phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-chloro-4-[(E)-hex-1-enyl]phenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[2-chloro-4-[(E)-hex-1-enyl]benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCC/C=C/C1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C24H27ClN2O2/c1-4-6-7-8-9-18-10-11-20(21(25)14-18)16-27-17(3)26-22-13-12-19(15-23(22)27)24(28)29-5-2/h8-15H,4-7,16H2,1-3H3/b9-8+