(2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)ethanoate

Systemtic Name: (2S)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)ethanoate Openeye Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetate CAS Name: (2S)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-2-(4-hydroxyphenyl)acetate IUPAC Name: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetate Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetate Formula: C22H20NO7- MolecularWeight: 410.3967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(C3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](C3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C22H21NO7/c1-11-15-7-9-17(25)12(2)20(15)30-22(29)16(11)8-10-18(26)23-19(21(27)28)13-3-5-14(24)6-4-13/h3-7,9,19,24-25H,8,10H2,1-2H3,(H,23,26)(H,27,28)/p-1/t19-/m0/s1