methyl N-[6-(2-pentanoylphenyl)carbonyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-(2-pentanoylphenyl)carbonyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-(2-pentanoylbenzoyl)-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[oxo-[2-(1-oxopentyl)phenyl]methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-(2-pentanoylbenzoyl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(2-valerylbenzoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-3-4-9-18(25)14-7-5-6-8-15(14)19(26)13-10-11-16-17(12-13)23-20(22-16)24-21(27)28-2/h5-8,10-12H,3-4,9H2,1-2H3,(H2,22,23,24,27)