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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(N1C)CN2C=CN=C2)C(=O)O

Isomeric SMILES

C/C(=C/C1=CC=C(N1C)CN2C=CN=C2)/C(=O)O

InChI

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