methyl 1-butyl-2-(prop-2-enylamino)benzimidazole-5-carboxylate

Systemtic Name: methyl 1-butyl-2-(prop-2-enylamino)benzimidazole-5-carboxylate Openeye Name: methyl 2-(allylamino)-1-butyl-benzimidazole-5-carboxylate CAS Name: 1-butyl-2-(prop-2-enylamino)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-(prop-2-enylamino)benzimidazole-5-carboxylate Traditional Name: 2-(allylamino)-1-butyl-benzimidazole-5-carboxylic acid methyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)OC)N=C1NCC=C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)OC)N=C1NCC=C

InChI

InChI=1S/C16H21N3O2/c1-4-6-10-19-14-8-7-12(15(20)21-3)11-13(14)18-16(19)17-9-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H,17,18)