[2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl] 3-phenylpropanoate Openeye Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxo-chromen-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(4-tert-butylphenyl)-6-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-tert-butylphenyl)-4-keto-6-methyl-chromen-3-yl] ester Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H28O4/c1-19-10-16-24-23(18-19)26(31)28(33-25(30)17-11-20-8-6-5-7-9-20)27(32-24)21-12-14-22(15-13-21)29(2,3)4/h5-10,12-16,18H,11,17H2,1-4H3