butane; 2-(4-chloranyl-3-imidazol-1-yl-5-methanoyl-2-methyl-phenyl)-2-cyclopentyl-ethanoic acid

Systemtic Name: butane; 2-(4-chloranyl-3-imidazol-1-yl-5-methanoyl-2-methyl-phenyl)-2-cyclopentyl-ethanoic acid Openeye Name: butane; 2-(4-chloro-5-formyl-3-imidazol-1-yl-2-methyl-phenyl)-2-cyclopentyl-acetic acid CAS Name: butane; 2-[4-chloro-5-formyl-3-(1-imidazolyl)-2-methylphenyl]-2-cyclopentylacetic acid IUPAC Name: butane; 2-(4-chloro-5-formyl-3-imidazol-1-yl-2-methylphenyl)-2-cyclopentylacetic acid Traditional Name: 2-(4-chloro-5-formyl-3-imidazol-1-yl-2-methyl-phenyl)-2-cyclopentyl-acetic acid; n-butane Formula: C22H29ClN2O3 MolecularWeight: 404.93026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC1=C(C=C(C(=C1N2C=CN=C2)Cl)C=O)C(C3CCCC3)C(=O)O

Isomeric SMILES

CCCC.CC1=C(C=C(C(=C1N2C=CN=C2)Cl)C=O)C(C3CCCC3)C(=O)O

InChI

InChI=1S/C18H19ClN2O3.C4H10/c1-11-14(15(18(23)24)12-4-2-3-5-12)8-13(9-22)16(19)17(11)21-7-6-20-10-21;1-3-4-2/h6-10,12,15H,2-5H2,1H3,(H,23,24);3-4H2,1-2H3