2-[4-[(3-butan-2-yl-5-butyl-4-methanoyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butan-2-yl-5-butyl-4-methanoyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-4-formyl-2-oxo-3-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butan-2-yl-5-butyl-4-formyl-2-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butan-2-yl-5-butyl-4-formyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-butyl-4-formyl-2-keto-3-sec-butyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)C=O

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)C=O

InChI

InChI=1S/C26H30N2O4/c1-4-6-11-23-24(17-29)28(18(3)5-2)26(32)27(23)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)25(30)31/h7-10,12-15,17-18H,4-6,11,16H2,1-3H3,(H,30,31)