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

Systemtic Name: (phenylmethyl) 4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: benzyl 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxo-butanoate CAS Name: 4-[2-(1-imidazolyl)ethyl-methylamino]-4-oxo-2-(phenylmethyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-oxobutanoate Traditional Name: 2-benzyl-4-[2-imidazol-1-ylethyl(methyl)amino]-4-keto-butyric acid benzyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)C(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CCN1C=CN=C1)C(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-26(14-15-27-13-12-25-19-27)23(28)17-22(16-20-8-4-2-5-9-20)24(29)30-18-21-10-6-3-7-11-21/h2-13,19,22H,14-18H2,1H3