3-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]benzoic acid

Systemtic Name: 3-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]benzoic acid Openeye Name: 3-[1-(1-imidazol-1-ylpropylamino)-1-methyl-ethyl]benzoic acid CAS Name: 3-[2-[1-(1-imidazolyl)propylamino]propan-2-yl]benzoic acid IUPAC Name: 3-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]benzoic acid Traditional Name: 3-[1-(1-imidazol-1-ylpropylamino)-1-methyl-ethyl]benzoic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(C)(C)C1=CC=CC(=C1)C(=O)O)N2C=CN=C2

Isomeric SMILES

CCC(NC(C)(C)C1=CC=CC(=C1)C(=O)O)N2C=CN=C2

InChI

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