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

Systemtic Name: 2-[4-[(2-butyl-6-oxidanylidene-5,7-dipropoxy-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropoxy-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropoxy-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-oxo-5,7-dipropoxycyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-5,7-dipropoxy-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C32H36N2O5 MolecularWeight: 528.63864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OCCC)OCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OCCC)OCCC

InChI

InChI=1S/C32H36N2O5/c1-4-7-12-30-33-26-19-28(38-17-5-2)31(35)29(39-18-6-3)20-27(26)34(30)21-22-13-15-23(16-14-22)24-10-8-9-11-25(24)32(36)37/h8-11,13-16,19-20H,4-7,12,17-18,21H2,1-3H3,(H,36,37)