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

Systemtic Name: 2-(3-hexadecan-2-yl-2-oxidanylidene-azepan-1-yl)ethanoic acid Openeye Name: 2-[3-(1-methylpentadecyl)-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-(3-hexadecan-2-yl-2-oxo-1-azepanyl)acetic acid IUPAC Name: 2-(3-hexadecan-2-yl-2-oxoazepan-1-yl)acetic acid Traditional Name: 2-[2-keto-3-(1-methylpentadecyl)azepan-1-yl]acetic acid Formula: C24H45NO3 MolecularWeight: 395.619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21(2)22-18-15-16-19-25(24(22)28)20-23(26)27/h21-22H,3-20H2,1-2H3,(H,26,27)