4-[2-(1H-imidazol-2-yl)ethyl-methyl-amino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[2-(1H-imidazol-2-yl)ethyl-methyl-amino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[2-(1H-imidazol-2-yl)ethyl-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[2-(1H-imidazol-2-yl)ethyl-methylamino]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[2-(1H-imidazol-2-yl)ethyl-methylamino]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-[2-(1H-imidazol-2-yl)ethyl-methyl-amino]-4-keto-butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=NC=CN1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(CCC1=NC=CN1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21N3O3/c1-20(10-7-15-18-8-9-19-15)16(21)12-14(17(22)23)11-13-5-3-2-4-6-13/h2-6,8-9,14H,7,10-12H2,1H3,(H,18,19)(H,22,23)