2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[4-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(7,8-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=C1C=CC(=C2O)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

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