2-(hexadecan-2-ylamino)-2-(phenylcarbonyl)butanoic acid

Systemtic Name: 2-(hexadecan-2-ylamino)-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-2-(1-methylpentadecylamino)butanoic acid CAS Name: 2-benzoyl-2-(hexadecan-2-ylamino)butanoic acid IUPAC Name: 2-benzoyl-2-(hexadecan-2-ylamino)butanoic acid Traditional Name: 2-benzoyl-2-(1-methylpentadecylamino)butyric acid Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-17-20-23(3)28-27(5-2,26(30)31)25(29)24-21-18-16-19-22-24/h16,18-19,21-23,28H,4-15,17,20H2,1-3H3,(H,30,31)