(phenylmethyl) (2S)-2-[(5-oxidanylidene-2-prop-2-ynyl-oxolan-2-yl)carbonylamino]hex-5-enoate

Systemtic Name: (phenylmethyl) (2S)-2-[(5-oxidanylidene-2-prop-2-ynyl-oxolan-2-yl)carbonylamino]hex-5-enoate Openeye Name: benzyl (2S)-2-[(5-oxo-2-prop-2-ynyl-tetrahydrofuran-2-carbonyl)amino]hex-5-enoate CAS Name: (2S)-2-[[oxo-(5-oxo-2-prop-2-ynyl-2-oxolanyl)methyl]amino]-5-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)amino]hex-5-enoate Traditional Name: (2S)-2-[(5-keto-2-propargyl-tetrahydrofuran-2-carbonyl)amino]hex-5-enoic acid benzyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC(=O)O2)CC#C

Isomeric SMILES

C=CCC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2(CCC(=O)O2)CC#C

InChI

InChI=1S/C21H23NO5/c1-3-5-11-17(19(24)26-15-16-9-7-6-8-10-16)22-20(25)21(13-4-2)14-12-18(23)27-21/h2-3,6-10,17H,1,5,11-15H2,(H,22,25)/t17-,21?/m0/s1