(E)-3-[3-[(2-chlorophenyl)methyl]-2-decyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(2-chlorophenyl)methyl]-2-decyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[3-[(2-chlorophenyl)methyl]-2-decyl-imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[3-[(2-chlorophenyl)methyl]-2-decyl-4-imidazolyl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[3-[(2-chlorophenyl)methyl]-2-decylimidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[3-(2-chlorobenzyl)-2-decyl-imidazol-4-yl]-2-(2-thenyl)acrylic acid Formula: C28H35ClN2O2S MolecularWeight: 499.1077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CC3=CC=CS3)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C28H35ClN2O2S/c1-2-3-4-5-6-7-8-9-16-27-30-20-24(31(27)21-22-13-10-11-15-26(22)29)18-23(28(32)33)19-25-14-12-17-34-25/h10-15,17-18,20H,2-9,16,19,21H2,1H3,(H,32,33)/b23-18+