6-[ethyl(phenethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate hydrochloride

Systemtic Name: 6-[ethyl(phenethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate hydrochloride Openeye Name: [1-ethyl-4-[ethyl(phenethyl)amino]butyl] 3,4,5-trimethoxybenzoate hydrochloride CAS Name: 3,4,5-trimethoxybenzoic acid 6-[ethyl(phenethyl)amino]hexan-3-yl ester hydrochloride IUPAC Name: 6-[ethyl(phenethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate hydrochloride Traditional Name: 3,4,5-trimethoxybenzoic acid [1-ethyl-4-[ethyl(phenethyl)amino]butyl] ester hydrochloride Formula: C26H38ClNO5 MolecularWeight: 480.03662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

Isomeric SMILES

CCC(CCCN(CC)CCC1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

InChI

InChI=1S/C26H37NO5.ClH/c1-6-22(14-11-16-27(7-2)17-15-20-12-9-8-10-13-20)32-26(28)21-18-23(29-3)25(31-5)24(19-21)30-4;/h8-10,12-13,18-19,22H,6-7,11,14-17H2,1-5H3;1H