(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)C

InChI

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