methyl 4-[7-methoxy-7-oxidanylidene-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoate

Systemtic Name: methyl 4-[7-methoxy-7-oxidanylidene-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoate Openeye Name: methyl 4-[2-[(E)-2-(2-benzyloxyphenyl)vinyl]-7-methoxy-7-oxo-heptyl]benzoate CAS Name: 4-[7-methoxy-7-oxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-methoxy-7-oxo-2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]heptyl]benzoate Traditional Name: 4-[(E)-4-(2-benzoxyphenyl)-2-(5-keto-5-methoxy-pentyl)but-3-enyl]benzoic acid methyl ester Formula: C31H34O5 MolecularWeight: 486.59866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CC1=CC=C(C=C1)C(=O)OC)C=CC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=C(C=C1)C(=O)OC)/C=C/C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C31H34O5/c1-34-30(32)15-9-6-10-24(22-25-17-20-28(21-18-25)31(33)35-2)16-19-27-13-7-8-14-29(27)36-23-26-11-4-3-5-12-26/h3-5,7-8,11-14,16-21,24H,6,9-10,15,22-23H2,1-2H3/b19-16+