(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(1H-pyrazol-5-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(1H-pyrazol-5-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(1H-pyrazol-5-ylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(1H-pyrazol-5-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(1H-pyrazol-5-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(1H-pyrazol-5-ylmethyl)acrylic acid Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CC3=CC=NN3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\CC3=CC=NN3)/C(=O)O

InChI

InChI=1S/C21H23ClN4O2/c1-2-3-8-20-23-13-18(26(20)14-15-6-4-5-7-19(15)22)12-16(21(27)28)11-17-9-10-24-25-17/h4-7,9-10,12-13H,2-3,8,11,14H2,1H3,(H,24,25)(H,27,28)/b16-12+