2-[1-(aminomethyl)cyclohexyl]ethanoic acid; 2-propylpentanoate

Systemtic Name: 2-[1-(aminomethyl)cyclohexyl]ethanoic acid; 2-propylpentanoate Openeye Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 2-propylpentanoate CAS Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 2-propylpentanoate IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 2-propylpentanoate Traditional Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 2-propylvalerate Formula: C17H32NO4- MolecularWeight: 314.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)[O-].C1CCC(CC1)(CC(=O)O)CN

Isomeric SMILES

CCCC(CCC)C(=O)[O-].C1CCC(CC1)(CC(=O)O)CN

InChI

InChI=1S/C9H17NO2.C8H16O2/c10-7-9(6-8(11)12)4-2-1-3-5-9;1-3-5-7(6-4-2)8(9)10/h1-7,10H2,(H,11,12);7H,3-6H2,1-2H3,(H,9,10)/p-1