3-methylbutyl 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoate

Systemtic Name: 3-methylbutyl 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoate Openeye Name: isopentyl 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoate CAS Name: 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoate Traditional Name: 4-[2-methyl-4-(methylamino)-1H-imidazol-5-yl]benzoic acid isoamyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)C2=CC=C(C=C2)C(=O)OCCC(C)C)NC

Isomeric SMILES

CC1=NC(=C(N1)C2=CC=C(C=C2)C(=O)OCCC(C)C)NC

InChI

InChI=1S/C17H23N3O2/c1-11(2)9-10-22-17(21)14-7-5-13(6-8-14)15-16(18-4)20-12(3)19-15/h5-8,11,18H,9-10H2,1-4H3,(H,19,20)