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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-13-4-9-19-17(10-22(28)30-23(19)14(13)2)12-29-21(27)11-20(25-15(3)26)16-5-7-18(24)8-6-16/h4-10,20H,11-12H2,1-3H3,(H,25,26)