(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C22H20ClNO5/c1-12-5-4-6-15(7-12)21(26)24-14(3)22(27)28-11-16-9-20(25)29-19-8-13(2)18(23)10-17(16)19/h4-10,14H,11H2,1-3H3,(H,24,26)/t14-/m0/s1