3-phenylpropyl 2,4,5-trimethoxybenzoate

Systemtic Name: 3-phenylpropyl 2,4,5-trimethoxybenzoate Openeye Name: 3-phenylpropyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid 3-phenylpropyl ester Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCCC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C19H22O5/c1-21-16-13-18(23-3)17(22-2)12-15(16)19(20)24-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3