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

Systemtic Name: 3,4-dimethoxybenzoic acid; 4-[ethyl-[1-(3-methoxyphenyl)propan-2-yl]amino]butan-1-ol Openeye Name: 3,4-dimethoxybenzoic acid; 4-[ethyl-[2-(3-methoxyphenyl)-1-methyl-ethyl]amino]butan-1-ol CAS Name: 3,4-dimethoxybenzoic acid; 4-[ethyl-[1-(3-methoxyphenyl)propan-2-yl]amino]-1-butanol IUPAC Name: 3,4-dimethoxybenzoic acid; 4-[ethyl-[1-(3-methoxyphenyl)propan-2-yl]amino]butan-1-ol Traditional Name: 4-[ethyl-[2-(3-methoxyphenyl)-1-methyl-ethyl]amino]butan-1-ol; veratric acid Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2.C9H10O4/c1-4-17(10-5-6-11-18)14(2)12-15-8-7-9-16(13-15)19-3;1-12-7-4-3-6(9(10)11)5-8(7)13-2/h7-9,13-14,18H,4-6,10-12H2,1-3H3;3-5H,1-2H3,(H,10,11)