6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid

Systemtic Name: 6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid Openeye Name: 6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid CAS Name: 6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid IUPAC Name: 6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid Traditional Name: 6-[1-(4-acetamidophenyl)-4,5,6,7-tetrahydroindazol-3-yl]hexanoic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)CCCCCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)CCCCCC(=O)O

InChI

InChI=1S/C21H27N3O3/c1-15(25)22-16-11-13-17(14-12-16)24-20-9-6-5-7-18(20)19(23-24)8-3-2-4-10-21(26)27/h11-14H,2-10H2,1H3,(H,22,25)(H,26,27)