(E)-3-[5-(imidazol-1-ylmethyl)-1-methyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-(imidazol-1-ylmethyl)-1-methyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[5-(imidazol-1-ylmethyl)-1-methyl-pyrrol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[5-(1-imidazolylmethyl)-1-methyl-3-pyrrolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[5-(imidazol-1-ylmethyl)-1-methylpyrrol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[5-(imidazol-1-ylmethyl)-1-methyl-pyrrol-3-yl]-2-methyl-acrylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C(=C1)CN2C=CN=C2)C)C(=O)O

Isomeric SMILES

C/C(=C\C1=CN(C(=C1)CN2C=CN=C2)C)/C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-10(13(17)18)5-11-6-12(15(2)7-11)8-16-4-3-14-9-16/h3-7,9H,8H2,1-2H3,(H,17,18)/b10-5+