(2S)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-2-phenyl-acetic acid Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H16ClNO6/c1-10-12-7-14(21)15(23)9-16(12)28-20(27)13(10)8-17(24)22-18(19(25)26)11-5-3-2-4-6-11/h2-7,9,18,23H,8H2,1H3,(H,22,24)(H,25,26)/t18-/m0/s1