(2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-(4-hydroxyphenyl)ethanoic acid

Systemtic Name: (2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-(4-hydroxyphenyl)ethanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetic acid CAS Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-2-(4-hydroxyphenyl)acetic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NC(C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-10-14-7-8-16(24)11(2)19(14)29-21(28)15(10)9-17(25)22-18(20(26)27)12-3-5-13(23)6-4-12/h3-8,18,23-24H,9H2,1-2H3,(H,22,25)(H,26,27)/t18-/m0/s1