methyl (2S)-2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate

Systemtic Name: methyl (2S)-2-[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxypropanoate Openeye Name: methyl (2S)-2-(3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl)oxypropanoate CAS Name: (2S)-2-[[6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate Traditional Name: (2S)-2-(3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl)oxypropionic acid methyl ester Formula: C21H19ClO5 MolecularWeight: 386.82556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O[C@@H](C)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO5/c1-12-15-10-17(22)19(26-13(2)20(23)25-3)11-18(15)27-21(24)16(12)9-14-7-5-4-6-8-14/h4-8,10-11,13H,9H2,1-3H3/t13-/m0/s1