2-[4-[(2-butyl-5,7-dihexyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5,7-dihexyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5,7-dihexyl-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5,7-dihexyl-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5,7-dihexyl-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5,7-dihexyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C38H48N2O3 MolecularWeight: 580.79932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C(C1=O)CCCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C(C1=O)CCCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C38H48N2O3/c1-4-7-10-12-16-30-25-34-35(26-31(37(30)41)17-13-11-8-5-2)40(36(39-34)20-9-6-3)27-28-21-23-29(24-22-28)32-18-14-15-19-33(32)38(42)43/h14-15,18-19,21-26H,4-13,16-17,20,27H2,1-3H3,(H,42,43)