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

Systemtic Name: 2-[4-[(2-butyl-5,7-diheptyl-6-oxidanylidene-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5,7-diheptyl-6-oxo-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5,7-diheptyl-6-oxo-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5,7-diheptyl-6-oxocyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5,7-diheptyl-6-keto-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C40H52N2O3 MolecularWeight: 608.85248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C(C1=O)CCCCCCC)N(C(=N2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C40H52N2O3/c1-4-7-10-12-14-18-32-27-36-37(28-33(39(32)43)19-15-13-11-8-5-2)42(38(41-36)22-9-6-3)29-30-23-25-31(26-24-30)34-20-16-17-21-35(34)40(44)45/h16-17,20-21,23-28H,4-15,18-19,22,29H2,1-3H3,(H,44,45)