(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(3-phenoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(3-phenoxyphenyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(3-phenoxyphenyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(3-phenoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(3-phenoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(3-phenoxyphenyl)acrylic acid Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\C3=CC(=CC=C3)OC4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C29H27ClN2O3/c1-2-3-16-28-31-19-23(32(28)20-22-10-7-8-15-27(22)30)18-26(29(33)34)21-11-9-14-25(17-21)35-24-12-5-4-6-13-24/h4-15,17-19H,2-3,16,20H2,1H3,(H,33,34)/b26-18+