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

Systemtic Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate Openeye Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-chlorophenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C26H21ClO4 MolecularWeight: 432.89554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H21ClO4/c1-16-14-21-22(15-17(16)2)30-25(19-9-11-20(27)12-10-19)26(24(21)29)31-23(28)13-8-18-6-4-3-5-7-18/h3-7,9-12,14-15H,8,13H2,1-2H3