2-[[2-methyl-3-(phenylmethyl)imidazol-4-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[2-methyl-3-(phenylmethyl)imidazol-4-yl]methylidene]propanedioic acid Openeye Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methylene]propanedioic acid CAS Name: 2-[[2-methyl-3-(phenylmethyl)-4-imidazolyl]methylidene]propanedioic acid IUPAC Name: 2-[(3-benzyl-2-methylimidazol-4-yl)methylidene]propanedioic acid Traditional Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methylene]malonic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=CC=C2)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=C(N1CC2=CC=CC=C2)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C15H14N2O4/c1-10-16-8-12(7-13(14(18)19)15(20)21)17(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21)