2-(3-nonan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid

Systemtic Name: 2-(3-nonan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methyloctyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(3-nonan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-nonan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methyloctyl)azepan-1-yl]acetic acid Formula: C17H31NO3 MolecularWeight: 297.43294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)C1CCCCN(C1=O)CC(=O)O

Isomeric SMILES

CCCCCCCC(C)C1CCCCN(C1=O)CC(=O)O

InChI

InChI=1S/C17H31NO3/c1-3-4-5-6-7-10-14(2)15-11-8-9-12-18(17(15)21)13-16(19)20/h14-15H,3-13H2,1-2H3,(H,19,20)