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

Systemtic Name: 2-(3-octan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylheptyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(3-octan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-octan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylheptyl)azepan-1-yl]acetic acid Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO3/c1-3-4-5-6-9-13(2)14-10-7-8-11-17(16(14)20)12-15(18)19/h13-14H,3-12H2,1-2H3,(H,18,19)