[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochromen-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C26H19NO5 MolecularWeight: 425.43276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H19NO5/c1-26(32-24(29)12-9-17-5-3-2-4-6-17)23(28)14-20-13-22(31-16-21(20)25(26)30)19-10-7-18(15-27)8-11-19/h2-8,10-11,13-14,16H,9,12H2,1H3