(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C24H23NO5/c1-15-9-11-20-19(13-22(27)30-23(20)16(15)2)14-29-24(28)17(3)25-21(26)12-10-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,25,26)/b12-10+/t17-/m0/s1