[2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate

Systemtic Name: [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate Openeye Name: [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] benzoate CAS Name: benzoic acid [2-[3-(1-imidazolyl)propylamino]-2-methylpropyl] ester IUPAC Name: [2-(3-imidazol-1-ylpropylamino)-2-methylpropyl] benzoate Traditional Name: benzoic acid [2-(3-imidazol-1-ylpropylamino)-2-methyl-propyl] ester Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC=C1)NCCCN2C=CN=C2

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC=C1)NCCCN2C=CN=C2

InChI

InChI=1S/C17H23N3O2/c1-17(2,19-9-6-11-20-12-10-18-14-20)13-22-16(21)15-7-4-3-5-8-15/h3-5,7-8,10,12,14,19H,6,9,11,13H2,1-2H3