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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C21H18NO7- MolecularWeight: 396.37012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C21H19NO7/c1-11-15-7-6-14(24)9-18(15)29-21(28)16(11)10-19(25)22-17(20(26)27)8-12-2-4-13(23)5-3-12/h2-7,9,17,23-24H,8,10H2,1H3,(H,22,25)(H,26,27)/p-1/t17-/m0/s1