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

Systemtic Name: 2-[4-[(5-butyl-4-methanoyl-2-oxidanylidene-3-pentyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-4-formyl-2-oxo-3-pentyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-butyl-4-formyl-2-oxo-3-pentyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butyl-4-formyl-2-oxo-3-pentylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-amyl-5-butyl-4-formyl-2-keto-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC)C=O

Isomeric SMILES

CCCCCN1C(=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCCC)C=O

InChI

InChI=1S/C27H32N2O4/c1-3-5-9-17-28-25(19-30)24(12-6-4-2)29(27(28)33)18-20-13-15-21(16-14-20)22-10-7-8-11-23(22)26(31)32/h7-8,10-11,13-16,19H,3-6,9,12,17-18H2,1-2H3,(H,31,32)