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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CC)CC

Isomeric SMILES

CCCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)CC)CC

InChI

InChI=1S/C31H34N2O3/c1-4-7-8-13-29-32-27-18-22(5-2)30(34)23(6-3)19-28(27)33(29)20-21-14-16-24(17-15-21)25-11-9-10-12-26(25)31(35)36/h9-12,14-19H,4-8,13,20H2,1-3H3,(H,35,36)