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

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-naphthalen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2-naphthyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(2-naphthalenyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-naphthalen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(2-naphthyl)acrylic acid Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\C3=CC4=CC=CC=C4C=C3)/C(=O)O

InChI

InChI=1S/C27H25ClN2O2/c1-2-3-12-26-29-17-23(30(26)18-22-10-6-7-11-25(22)28)16-24(27(31)32)21-14-13-19-8-4-5-9-20(19)15-21/h4-11,13-17H,2-3,12,18H2,1H3,(H,31,32)/b24-16+