2-azanyl-2-tert-butyl-4-(3-methylphenoxy)-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-tert-butyl-4-(3-methylphenoxy)-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-tert-butyl-4-(3-methylphenoxy)-3-oxo-octanoic acid CAS Name: 2-amino-2-tert-butyl-4-(3-methylphenoxy)-3-oxooctanoic acid IUPAC Name: 2-amino-2-tert-butyl-4-(3-methylphenoxy)-3-oxooctanoic acid Traditional Name: 2-amino-2-tert-butyl-3-keto-4-(3-methylphenoxy)caprylic acid Formula: C19H29NO4 MolecularWeight: 335.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(C(=O)O)(C(C)(C)C)N)OC1=CC=CC(=C1)C

Isomeric SMILES

CCCCC(C(=O)C(C(=O)O)(C(C)(C)C)N)OC1=CC=CC(=C1)C

InChI

InChI=1S/C19H29NO4/c1-6-7-11-15(24-14-10-8-9-13(2)12-14)16(21)19(20,17(22)23)18(3,4)5/h8-10,12,15H,6-7,11,20H2,1-5H3,(H,22,23)