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

Systemtic Name: [3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] 3-phenylpropanoate Openeye Name: (3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C23H24O5 MolecularWeight: 380.43366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H24O5/c1-3-4-10-18-13-17-14-20(24)23(2,22(26)19(17)15-27-18)28-21(25)12-11-16-8-6-5-7-9-16/h5-9,13-15H,3-4,10-12H2,1-2H3