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

Systemtic Name: 2-[4-[(2-butyl-6-oxidanylidene-5,7-diphenoxy-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-6-oxo-5,7-diphenoxy-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-6-oxo-5,7-diphenoxy-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-6-oxo-5,7-diphenoxycyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-5,7-diphenoxy-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C38H32N2O5 MolecularWeight: 596.67108

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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)OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C(=O)C(=C2)OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C38H32N2O5/c1-2-3-18-36-39-32-23-34(44-28-12-6-4-7-13-28)37(41)35(45-29-14-8-5-9-15-29)24-33(32)40(36)25-26-19-21-27(22-20-26)30-16-10-11-17-31(30)38(42)43/h4-17,19-24H,2-3,18,25H2,1H3,(H,42,43)