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

Systemtic Name: 2-[4-[(5,7-dihexyl-6-oxidanylidene-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5,7-dihexyl-6-oxo-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5,7-dihexyl-6-oxo-2-propyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5,7-dihexyl-6-oxo-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-dihexyl-6-keto-2-propyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C37H46N2O3 MolecularWeight: 566.77274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H46N2O3/c1-4-7-9-11-16-29-24-33-34(25-30(36(29)40)17-12-10-8-5-2)39(35(38-33)15-6-3)26-27-20-22-28(23-21-27)31-18-13-14-19-32(31)37(41)42/h13-14,18-25H,4-12,15-17,26H2,1-3H3,(H,41,42)