9-azanylnonanoic acid; azepan-2-one

Systemtic Name: 9-azanylnonanoic acid; azepan-2-one Openeye Name: 9-aminononanoic acid; azepan-2-one CAS Name: 9-aminononanoic acid; 2-azepanone IUPAC Name: 9-aminononanoic acid; azepan-2-one Traditional Name: 9-aminopelargonic acid; azepan-2-one Formula: C15H30N2O3 MolecularWeight: 286.4103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C(CCCCN)CCCC(=O)O

Isomeric SMILES

C1CCC(=O)NCC1.C(CCCCN)CCCC(=O)O

InChI

InChI=1S/C9H19NO2.C6H11NO/c10-8-6-4-2-1-3-5-7-9(11)12;8-6-4-2-1-3-5-7-6/h1-8,10H2,(H,11,12);1-5H2,(H,7,8)