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

Systemtic Name: (E)-3-[2-butyl-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[2-butyl-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2H-imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[2-butyl-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[2-butyl-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2H-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[2-butyl-1-(2-chlorobenzyl)-3-methylol-4-imidazolin-4-yl]-2-(2-thenyl)acrylic acid Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CO)C=C(CC2=CC=CS2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1N(C=C(N1CO)/C=C(\CC2=CC=CS2)/C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-2-3-10-22-25(14-17-7-4-5-9-21(17)24)15-19(26(22)16-27)12-18(23(28)29)13-20-8-6-11-30-20/h4-9,11-12,15,22,27H,2-3,10,13-14,16H2,1H3,(H,28,29)/b18-12+