4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride

Systemtic Name: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride Openeye Name: 4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butyl 3,4-dimethoxybenzoate hydrochloride CAS Name: 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester hydrochloride IUPAC Name: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride Traditional Name: 3,4-dimethoxybenzoic acid 4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butyl ester hydrochloride Formula: C25H36ClNO5 MolecularWeight: 466.01004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl

Isomeric SMILES

CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl

InChI

InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H