(2S)-2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-2-phenyl-ethanoate Openeye Name: (2S)-2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxy-2-phenyl-acetate CAS Name: (2S)-2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-2-phenylacetate IUPAC Name: (2S)-2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate Traditional Name: (2S)-2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxy-2-phenyl-acetate Formula: C25H19O5- MolecularWeight: 399.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@@H](C3=CC=CC=C3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H20O5/c1-16-20-13-12-19(29-23(24(26)27)18-10-6-3-7-11-18)15-22(20)30-25(28)21(16)14-17-8-4-2-5-9-17/h2-13,15,23H,14H2,1H3,(H,26,27)/p-1/t23-/m0/s1