6-[4-oxidanylidene-8-[(E)-3-phenylprop-2-enyl]chromen-7-yl]oxyhexyl 3-phenylpropanoate

Systemtic Name: 6-[4-oxidanylidene-8-[(E)-3-phenylprop-2-enyl]chromen-7-yl]oxyhexyl 3-phenylpropanoate Openeye Name: 6-[8-[(E)-cinnamyl]-4-oxo-chromen-7-yl]oxyhexyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 6-[[4-oxo-8-[(E)-3-phenylprop-2-enyl]-1-benzopyran-7-yl]oxy]hexyl ester IUPAC Name: 6-[4-oxo-8-[(E)-3-phenylprop-2-enyl]chromen-7-yl]oxyhexyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 6-[8-[(E)-cinnamyl]-4-keto-chromen-7-yl]oxyhexyl ester Formula: C33H34O5 MolecularWeight: 510.62006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCCCCCOC2=C(C3=C(C=C2)C(=O)C=CO3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCCCCCOC2=C(C3=C(C=C2)C(=O)C=CO3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C33H34O5/c34-30-22-25-38-33-28(30)19-20-31(29(33)17-11-16-26-12-5-3-6-13-26)36-23-9-1-2-10-24-37-32(35)21-18-27-14-7-4-8-15-27/h3-8,11-16,19-20,22,25H,1-2,9-10,17-18,21,23-24H2/b16-11+