(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-13-8-20-17(10-18(13)23)16(9-22(27)29-20)12-28-21(26)11-19(24-14(2)25)15-6-4-3-5-7-15/h3-10,19H,11-12H2,1-2H3,(H,24,25)/t19-/m1/s1