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

Systemtic Name: 2-[4-[(6-oxidanylidene-2-pentyl-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-2-pentyl-5,7-dipropyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-2-pentyl-5,7-dipropyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-2-pentyl-5,7-dipropylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-6-keto-5,7-dipropyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C33H38N2O3 MolecularWeight: 510.66642

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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)CCC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C33H38N2O3/c1-4-7-8-15-31-34-29-20-25(11-5-2)32(36)26(12-6-3)21-30(29)35(31)22-23-16-18-24(19-17-23)27-13-9-10-14-28(27)33(37)38/h9-10,13-14,16-21H,4-8,11-12,15,22H2,1-3H3,(H,37,38)