hexadecyl (2S)-2-[(3-methoxyphenyl)carbonylamino]propanoate

Systemtic Name: hexadecyl (2S)-2-[(3-methoxyphenyl)carbonylamino]propanoate Openeye Name: hexadecyl (2S)-2-[(3-methoxybenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methoxyphenyl)-oxomethyl]amino]propanoic acid hexadecyl ester IUPAC Name: hexadecyl (2S)-2-[(3-methoxybenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-anisoylamino)propionic acid cetyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27(30)23(2)28-26(29)24-19-18-20-25(22-24)31-3/h18-20,22-23H,4-17,21H2,1-3H3,(H,28,29)/t23-/m0/s1