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

Systemtic Name: 2-(3-dodecan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylundecyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(3-dodecan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-dodecan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylundecyl)azepan-1-yl]acetic acid Formula: C20H37NO3 MolecularWeight: 339.51268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37NO3/c1-3-4-5-6-7-8-9-10-13-17(2)18-14-11-12-15-21(20(18)24)16-19(22)23/h17-18H,3-16H2,1-2H3,(H,22,23)