2-[1-(1H-imidazol-5-yl)ethyl]-3-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: 4-benzyloxy-2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-butanoate CAS Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-4-phenylmethoxybutanoate IUPAC Name: 2-[1-(1H-imidazol-5-yl)ethyl]-3-oxo-4-phenylmethoxybutanoate Traditional Name: 4-benzoxy-2-[1-(1H-imidazol-5-yl)ethyl]-3-keto-butyrate Formula: C16H17N2O4- MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)C(C(=O)COCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C1=CN=CN1)C(C(=O)COCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-11(13-7-17-10-18-13)15(16(20)21)14(19)9-22-8-12-5-3-2-4-6-12/h2-7,10-11,15H,8-9H2,1H3,(H,17,18)(H,20,21)/p-1