4-[4-(2-imidazol-1-ylethoxy)phenyl]-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3-methyl-4-oxidanylidene-butanoate Openeye Name: 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3-methyl-4-oxo-butanoate CAS Name: 4-[4-[2-(1-imidazolyl)ethoxy]phenyl]-3-methyl-4-oxobutanoate IUPAC Name: 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3-methyl-4-oxobutanoate Traditional Name: 4-[4-(2-imidazol-1-ylethoxy)phenyl]-4-keto-3-methyl-butyrate Formula: C16H17N2O4- MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C(=O)C1=CC=C(C=C1)OCCN2C=CN=C2

Isomeric SMILES

CC(CC(=O)[O-])C(=O)C1=CC=C(C=C1)OCCN2C=CN=C2

InChI

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