2-azanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanedioic acid

Systemtic Name: 2-azanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanedioic acid Openeye Name: 2-amino-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]pentanedioic acid CAS Name: 2-amino-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanedioic acid IUPAC Name: 2-amino-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanedioic acid Traditional Name: 2-amino-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]glutaric acid Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(CC(=O)O)C(C(=O)O)N

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(CC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C19H29NO5/c1-18(2,3)11-19(4,5)12-6-8-13(9-7-12)25-14(10-15(21)22)16(20)17(23)24/h6-9,14,16H,10-11,20H2,1-5H3,(H,21,22)(H,23,24)