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

Systemtic Name: (2S)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]-2-phenyl-acetic acid Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO6/c1-11-13(21(28)29-17-10-16(24)15(22)9-14(11)17)7-8-18(25)23-19(20(26)27)12-5-3-2-4-6-12/h2-6,9-10,19,24H,7-8H2,1H3,(H,23,25)(H,26,27)/t19-/m0/s1