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

Systemtic Name: 2-[2-(3-imidazol-1-ylpropanoylamino)propan-2-yl]benzoic acid Openeye Name: 2-[1-(3-imidazol-1-ylpropanoylamino)-1-methyl-ethyl]benzoic acid CAS Name: 2-[2-[[3-(1-imidazolyl)-1-oxopropyl]amino]propan-2-yl]benzoic acid IUPAC Name: 2-[2-(3-imidazol-1-ylpropanoylamino)propan-2-yl]benzoic acid Traditional Name: 2-[1-(3-imidazol-1-ylpropanoylamino)-1-methyl-ethyl]benzoic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1C(=O)O)NC(=O)CCN2C=CN=C2

Isomeric SMILES

CC(C)(C1=CC=CC=C1C(=O)O)NC(=O)CCN2C=CN=C2

InChI

InChI=1S/C16H19N3O3/c1-16(2,13-6-4-3-5-12(13)15(21)22)18-14(20)7-9-19-10-8-17-11-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,20)(H,21,22)