2-[4-[(2,4,4-tributyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2,4,4-tributyl-5-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2,4,4-tributyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2,4,4-tributyl-5-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2,4,4-tributyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2,4,4-tributyl-5-keto-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CCCC)CCCC

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CCCC)CCCC

InChI

InChI=1S/C29H38N2O3/c1-4-7-14-26-30-29(19-8-5-2,20-9-6-3)28(34)31(26)21-22-15-17-23(18-16-22)24-12-10-11-13-25(24)27(32)33/h10-13,15-18H,4-9,14,19-21H2,1-3H3,(H,32,33)