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

Systemtic Name: 2-[4-[(2-hexyl-6-oxidanylidene-5,7-dipentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipentyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipentyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-hexyl-6-oxo-5,7-dipentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-diamyl-2-hexyl-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=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCCC)CCCCC

Isomeric SMILES

CCCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CCCCC)CCCCC

InChI

InChI=1S/C38H48N2O3/c1-4-7-10-13-20-36-39-34-25-30(16-11-8-5-2)37(41)31(17-12-9-6-3)26-35(34)40(36)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)