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

Systemtic Name: 2-(3-decan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylnonyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(3-decan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-decan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylnonyl)azepan-1-yl]acetic acid Formula: C18H33NO3 MolecularWeight: 311.45952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33NO3/c1-3-4-5-6-7-8-11-15(2)16-12-9-10-13-19(18(16)22)14-17(20)21/h15-16H,3-14H2,1-2H3,(H,20,21)