hexadecyl 2-acetamido-3-phenyl-propanoate

Systemtic Name: hexadecyl 2-acetamido-3-phenyl-propanoate Openeye Name: hexadecyl 2-acetamido-3-phenyl-propanoate CAS Name: 2-acetamido-3-phenylpropanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-acetamido-3-phenylpropanoate Traditional Name: 2-acetamido-3-phenyl-propionic acid cetyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C

InChI

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