(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H19NO6/c24-17-7-8-18-16(12-22(27)29-19(18)13-17)14-28-21(26)10-11-23-20(25)9-6-15-4-2-1-3-5-15/h1-9,12-13,24H,10-11,14H2,(H,23,25)/b9-6+