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

Systemtic Name: (2S)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-12-15-8-7-14(23)11-17(15)28-21(27)16(12)9-10-18(24)22-19(20(25)26)13-5-3-2-4-6-13/h2-8,11,19,23H,9-10H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1