2-azanyl-3-oxidanyl-butanoic acid; 2-pentylcycloheptan-1-one

Systemtic Name: 2-azanyl-3-oxidanyl-butanoic acid; 2-pentylcycloheptan-1-one Openeye Name: 2-amino-3-hydroxy-butanoic acid; 2-pentylcycloheptanone CAS Name: 2-amino-3-hydroxybutanoic acid; 2-pentyl-1-cycloheptanone IUPAC Name: 2-amino-3-hydroxybutanoic acid; 2-pentylcycloheptan-1-one Traditional Name: 2-amino-3-hydroxy-butyric acid; 2-amylcycloheptanone Formula: C16H31NO4 MolecularWeight: 301.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCCCC1=O.CC(C(C(=O)O)N)O

Isomeric SMILES

CCCCCC1CCCCCC1=O.CC(C(C(=O)O)N)O

InChI

InChI=1S/C12H22O.C4H9NO3/c1-2-3-5-8-11-9-6-4-7-10-12(11)13;1-2(6)3(5)4(7)8/h11H,2-10H2,1H3;2-3,6H,5H2,1H3,(H,7,8)