tert-butyl 2-[4-[2-(2-methoxyethanoyl)-3-oxidanylidene-heptyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[2-(2-methoxyethanoyl)-3-oxidanylidene-heptyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[2-(2-methoxyacetyl)-3-oxo-heptyl]phenyl]benzoate CAS Name: 2-[4-[2-(2-methoxy-1-oxoethyl)-3-oxoheptyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(2-methoxyacetyl)-3-oxoheptyl]phenyl]benzoate Traditional Name: 2-[4-[3-keto-2-(2-methoxyacetyl)heptyl]phenyl]benzoic acid tert-butyl ester Formula: C27H34O5 MolecularWeight: 438.55586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C(=O)COC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C(=O)COC

InChI

InChI=1S/C27H34O5/c1-6-7-12-24(28)23(25(29)18-31-5)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)26(30)32-27(2,3)4/h8-11,13-16,23H,6-7,12,17-18H2,1-5H3