5-oxidanylidene-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]pentanoic acid Openeye Name: 5-oxo-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]pentanoic acid CAS Name: 5-oxo-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]pentanoic acid IUPAC Name: 5-oxo-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]pentanoic acid Traditional Name: 5-keto-5-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]valeric acid Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-14-20-16(22-18(25)10-7-11-19(26)27)12-21(2,3)13-17(20)24(23-14)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-13H2,1-3H3,(H,22,25)(H,26,27)