(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-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 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-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)CCNC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C

InChI

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