4-[1-(4-ethoxyphenyl)propan-2-yl-ethyl-amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid

Systemtic Name: 4-[1-(4-ethoxyphenyl)propan-2-yl-ethyl-amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Openeye Name: 4-[[2-(4-ethoxyphenyl)-1-methyl-ethyl]-ethyl-amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid CAS Name: 4-[1-(4-ethoxyphenyl)propan-2-yl-ethylamino]-1-butanol; 3,4,5-trimethoxybenzoic acid IUPAC Name: 4-[1-(4-ethoxyphenyl)propan-2-yl-ethylamino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Traditional Name: 4-[ethyl-(1-methyl-2-p-phenetyl-ethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Formula: C27H41NO7 MolecularWeight: 491.61694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCO)C(C)CC1=CC=C(C=C1)OCC.COC1=CC(=CC(=C1OC)OC)C(=O)O

Isomeric SMILES

CCN(CCCCO)C(C)CC1=CC=C(C=C1)OCC.COC1=CC(=CC(=C1OC)OC)C(=O)O

InChI

InChI=1S/C17H29NO2.C10H12O5/c1-4-18(12-6-7-13-19)15(3)14-16-8-10-17(11-9-16)20-5-2;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h8-11,15,19H,4-7,12-14H2,1-3H3;4-5H,1-3H3,(H,11,12)