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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2.C10H12O5/c1-4-11-18(12-5-6-13-19)15(2)14-16-7-9-17(20-3)10-8-16;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h7-10,15,19H,4-6,11-14H2,1-3H3;4-5H,1-3H3,(H,11,12)