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

Systemtic Name: 2-[4-[(6-oxidanylidene-2,5,7-tripropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-2,5,7-tripropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-2,5,7-tripropyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-2,5,7-tripropylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-keto-2,5,7-tripropyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C(C1=O)CCC)N(C(=N2)CCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C(C1=O)CCC)N(C(=N2)CCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H34N2O3/c1-4-9-23-18-27-28(19-24(10-5-2)30(23)34)33(29(32-27)11-6-3)20-21-14-16-22(17-15-21)25-12-7-8-13-26(25)31(35)36/h7-8,12-19H,4-6,9-11,20H2,1-3H3,(H,35,36)