2-[1-[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazol-4-yl]ethoxymethyl]thiophene-3-carboxylic acid

Systemtic Name: 2-[1-[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazol-4-yl]ethoxymethyl]thiophene-3-carboxylic acid Openeye Name: 2-[1-[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloro-imidazol-4-yl]ethoxymethyl]thiophene-3-carboxylic acid CAS Name: 2-[1-[2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-chloro-4-imidazolyl]ethoxymethyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[1-[2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-chloroimidazol-4-yl]ethoxymethyl]thiophene-3-carboxylic acid Traditional Name: 2-[1-[2-butyl-3-(3-carboxy-4-phenyl-benzyl)-5-chloro-imidazol-4-yl]ethoxymethyl]-3-thenoic acid Formula: C29H29ClN2O5S MolecularWeight: 553.06896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(C)OCC4=C(C=CS4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(C)OCC4=C(C=CS4)C(=O)O)Cl

InChI

InChI=1S/C29H29ClN2O5S/c1-3-4-10-25-31-27(30)26(18(2)37-17-24-22(28(33)34)13-14-38-24)32(25)16-19-11-12-21(23(15-19)29(35)36)20-8-6-5-7-9-20/h5-9,11-15,18H,3-4,10,16-17H2,1-2H3,(H,33,34)(H,35,36)