(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H21Cl2NO5 MolecularWeight: 462.32254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)C)Cl

InChI

InChI=1S/C23H21Cl2NO5/c1-3-14-8-21-18(10-19(14)25)16(9-23(29)31-21)12-30-22(28)11-20(26-13(2)27)15-4-6-17(24)7-5-15/h4-10,20H,3,11-12H2,1-2H3,(H,26,27)