3-pyridin-3-ylpropyl 3,4,5-trimethoxybenzoate

Systemtic Name: 3-pyridin-3-ylpropyl 3,4,5-trimethoxybenzoate Openeye Name: 3-(3-pyridyl)propyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(3-pyridyl)propyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CN=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C18H21NO5/c1-21-15-10-14(11-16(22-2)17(15)23-3)18(20)24-9-5-7-13-6-4-8-19-12-13/h4,6,8,10-12H,5,7,9H2,1-3H3