2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

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