(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C3=CC=CC=C3)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](C3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C22H22O5/c1-13(2)17-11-18-16(10-20(23)27-19(18)9-14(17)3)12-26-22(25)21(24)15-7-5-4-6-8-15/h4-11,13,21,24H,12H2,1-3H3/t21-/m0/s1