(Z)-4-[5-ethoxycarbonyl-3-(phenylmethyl)imidazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (Z)-4-[5-ethoxycarbonyl-3-(phenylmethyl)imidazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-(3-benzyl-5-ethoxycarbonyl-imidazol-4-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-[5-ethoxycarbonyl-3-(phenylmethyl)-4-imidazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-(3-benzyl-5-ethoxycarbonylimidazol-4-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-(3-benzyl-5-carbethoxy-imidazol-4-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)/C(=C/C(=O)C(=O)O)/O

InChI

InChI=1S/C17H16N2O6/c1-2-25-17(24)14-15(12(20)8-13(21)16(22)23)19(10-18-14)9-11-6-4-3-5-7-11/h3-8,10,20H,2,9H2,1H3,(H,22,23)/b12-8-