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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO5/c1-3-14-4-9-18-16(11-20(25)29-19(18)10-14)12-28-22(27)13(2)24-21(26)15-5-7-17(23)8-6-15/h4-11,13H,3,12H2,1-2H3,(H,24,26)/t13-/m0/s1