octyl (2S)-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: octyl (2S)-2-(3-phenylpropanoylamino)propanoate Openeye Name: octyl (2S)-2-(3-phenylpropanoylamino)propanoate CAS Name: (2S)-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid octyl ester IUPAC Name: octyl (2S)-2-(3-phenylpropanoylamino)propanoate Traditional Name: (2S)-2-(hydrocinnamoylamino)propionic acid octyl ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOC(=O)[C@H](C)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-7-11-16-24-20(23)17(2)21-19(22)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,3-7,11,14-16H2,1-2H3,(H,21,22)/t17-/m0/s1