4-[(2-acetyloxyphenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoic acid

Systemtic Name: 4-[(2-acetyloxyphenyl)carbonyl-(2,4,4-trimethylpentan-2-yl)amino]butanoic acid Openeye Name: 4-[(2-acetoxybenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butanoic acid CAS Name: 4-[[(2-acetyloxyphenyl)-oxomethyl]-(2,4,4-trimethylpentan-2-yl)amino]butanoic acid IUPAC Name: 4-[(2-acetyloxybenzoyl)-(2,4,4-trimethylpentan-2-yl)amino]butanoic acid Traditional Name: 4-[(2-acetoxybenzoyl)-(1,1,3,3-tetramethylbutyl)amino]butyric acid Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N(CCCC(=O)O)C(C)(C)CC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N(CCCC(=O)O)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C21H31NO5/c1-15(23)27-17-11-8-7-10-16(17)19(26)22(13-9-12-18(24)25)21(5,6)14-20(2,3)4/h7-8,10-11H,9,12-14H2,1-6H3,(H,24,25)