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

Systemtic Name: ethyl 3-(6-chloranyl-4-methyl-2-oxidanylidene-7-phenylmethoxy-chromen-3-yl)propanoate Openeye Name: ethyl 3-(7-benzyloxy-6-chloro-4-methyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(6-chloro-4-methyl-2-oxo-7-phenylmethoxy-1-benzopyran-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-chloro-4-methyl-2-oxo-7-phenylmethoxychromen-3-yl)propanoate Traditional Name: 3-(7-benzoxy-6-chloro-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H21ClO5/c1-3-26-21(24)10-9-16-14(2)17-11-18(23)20(12-19(17)28-22(16)25)27-13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3