3,4-dimethoxybenzoic acid; 4-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethyl-amino]butan-1-ol

Systemtic Name: 3,4-dimethoxybenzoic acid; 4-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethyl-amino]butan-1-ol Openeye Name: 3,4-dimethoxybenzoic acid; 4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-ethyl-amino]butan-1-ol CAS Name: 3,4-dimethoxybenzoic acid; 4-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethylamino]-1-butanol IUPAC Name: 3,4-dimethoxybenzoic acid; 4-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethylamino]butan-1-ol Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-ethyl-amino]butan-1-ol; veratric acid Formula: C26H39NO7 MolecularWeight: 477.59036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO3.C9H10O4/c1-5-18(10-6-7-11-19)14(2)12-15-8-9-16(20-3)17(13-15)21-4;1-12-7-4-3-6(9(10)11)5-8(7)13-2/h8-9,13-14,19H,5-7,10-12H2,1-4H3;3-5H,1-2H3,(H,10,11)