(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-3-phenylbutanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO4/c1-13(15-6-4-3-5-7-15)9-20(23)25-12-16-10-21(24)26-19-8-14(2)18(22)11-17(16)19/h3-8,10-11,13H,9,12H2,1-2H3/t13-/m0/s1