4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: 4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxo-butanoate CAS Name: 4-[2-(1-imidazolyl)ethyl-methylamino]-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxobutanoate Traditional Name: 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-keto-butyrate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)C(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN(CCN1C=CN=C1)C(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

InChI

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