4-[methyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid

Systemtic Name: 4-[methyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Openeye Name: 4-[methyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid CAS Name: 4-[methyl(phenethyl)amino]-1-butanol; 3,4,5-trimethoxybenzoic acid IUPAC Name: 4-[methyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Traditional Name: 4-[methyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCO)CCC1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C(=O)O

Isomeric SMILES

CN(CCCCO)CCC1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C(=O)O

InChI

InChI=1S/C13H21NO.C10H12O5/c1-14(10-5-6-12-15)11-9-13-7-3-2-4-8-13;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h2-4,7-8,15H,5-6,9-12H2,1H3;4-5H,1-3H3,(H,11,12)