(2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C22H20NO7- MolecularWeight: 410.3967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-])C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-])C)C(=C1)O

InChI

InChI=1S/C22H21NO7/c1-11-7-17(25)20-12(2)15(22(29)30-18(20)8-11)10-19(26)23-16(21(27)28)9-13-3-5-14(24)6-4-13/h3-8,16,24-25H,9-10H2,1-2H3,(H,23,26)(H,27,28)/p-1/t16-/m0/s1