2-(1,4-diazepan-1-yl)ethyl 2,3,4-trimethoxybenzoate

Systemtic Name: 2-(1,4-diazepan-1-yl)ethyl 2,3,4-trimethoxybenzoate Openeye Name: 2-(1,4-diazepan-1-yl)ethyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid 2-(1,4-diazepan-1-yl)ethyl ester IUPAC Name: 2-(1,4-diazepan-1-yl)ethyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid 2-(1,4-diazepan-1-yl)ethyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCCN2CCCNCC2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCCN2CCCNCC2)OC)OC

InChI

InChI=1S/C17H26N2O5/c1-21-14-6-5-13(15(22-2)16(14)23-3)17(20)24-12-11-19-9-4-7-18-8-10-19/h5-6,18H,4,7-12H2,1-3H3