3,4-dimethoxybenzoic acid; 6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexan-1-ol

Systemtic Name: 3,4-dimethoxybenzoic acid; 6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexan-1-ol Openeye Name: 3,4-dimethoxybenzoic acid; 6-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]hexan-1-ol CAS Name: 3,4-dimethoxybenzoic acid; 6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-hexanol IUPAC Name: 3,4-dimethoxybenzoic acid; 6-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]hexan-1-ol Traditional Name: 6-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]hexan-1-ol; veratric acid Formula: C27H41NO6 MolecularWeight: 475.61754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCCO)C(C)CC1=CC=C(C=C1)OC.COC1=C(C=C(C=C1)C(=O)O)OC

Isomeric SMILES

CCN(CCCCCCO)C(C)CC1=CC=C(C=C1)OC.COC1=C(C=C(C=C1)C(=O)O)OC

InChI

InChI=1S/C18H31NO2.C9H10O4/c1-4-19(13-7-5-6-8-14-20)16(2)15-17-9-11-18(21-3)12-10-17;1-12-7-4-3-6(9(10)11)5-8(7)13-2/h9-12,16,20H,4-8,13-15H2,1-3H3;3-5H,1-2H3,(H,10,11)