2-[[1-[di(propan-2-yl)amino]ethylamino]-phenylmethoxy-methyl]-4-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[[1-[di(propan-2-yl)amino]ethylamino]-phenylmethoxy-methyl]-4-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[benzyloxy-[1-(diisopropylamino)ethylamino]methyl]-4-methyl-pyridine-3-carboxylic acid CAS Name: 2-[[1-[di(propan-2-yl)amino]ethylamino]-phenylmethoxymethyl]-4-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[[1-[di(propan-2-yl)amino]ethylamino]-phenylmethoxymethyl]-4-methylpyridine-3-carboxylic acid Traditional Name: 2-[benzoxy-[1-(diisopropylamino)ethylamino]methyl]-4-methyl-nicotinic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)C(NC(C)N(C(C)C)C(C)C)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC=C1)C(NC(C)N(C(C)C)C(C)C)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H33N3O3/c1-15(2)26(16(3)4)18(6)25-22(29-14-19-10-8-7-9-11-19)21-20(23(27)28)17(5)12-13-24-21/h7-13,15-16,18,22,25H,14H2,1-6H3,(H,27,28)