pentyl (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate

Systemtic Name: pentyl (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate Openeye Name: pentyl (2S)-2-(allyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo(prop-2-enoxy)methyl]amino]-3-phenylpropanoic acid pentyl ester IUPAC Name: pentyl (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate Traditional Name: (2S)-2-(allyloxycarbonylamino)-3-phenyl-propionic acid amyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC=C

Isomeric SMILES

CCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC=C

InChI

InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(19-18(21)23-12-4-2)14-15-10-7-6-8-11-15/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,19,21)/t16-/m0/s1