(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3Cl)C

InChI

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