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

Systemtic Name: 2-[4-[(6-oxidanylidene-5,7-dipentyl-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-oxo-5,7-dipentyl-2-propyl-cyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-oxo-5,7-dipentyl-2-propyl-3-cyclohepta[d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-oxo-5,7-dipentyl-2-propylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5,7-diamyl-6-keto-2-propyl-cyclohept[d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C35H42N2O3 MolecularWeight: 538.71958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C(C1=O)CCCCC)N(C(=N2)CCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCCC1=CC2=C(C=C(C1=O)CCCCC)N(C(=N2)CCC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C35H42N2O3/c1-4-7-9-14-27-22-31-32(23-28(34(27)38)15-10-8-5-2)37(33(36-31)13-6-3)24-25-18-20-26(21-19-25)29-16-11-12-17-30(29)35(39)40/h11-12,16-23H,4-10,13-15,24H2,1-3H3,(H,39,40)