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

Systemtic Name: 2-[4-[(6-oxidanylidene-5,7-dipropoxy-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-5,7-dipropoxy-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-5,7-dipropoxy-2-propyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-5,7-dipropoxy-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-keto-5,7-dipropoxy-2-propyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OCCC)OCCC

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OCCC)OCCC

InChI

InChI=1S/C31H34N2O5/c1-4-9-29-32-25-18-27(37-16-5-2)30(34)28(38-17-6-3)19-26(25)33(29)20-21-12-14-22(15-13-21)23-10-7-8-11-24(23)31(35)36/h7-8,10-15,18-19H,4-6,9,16-17,20H2,1-3H3,(H,35,36)