2-[1-[di(propan-2-yl)amino]ethylamino]-6-methyl-4-(phenylmethoxymethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[1-[di(propan-2-yl)amino]ethylamino]-6-methyl-4-(phenylmethoxymethyl)pyridine-3-carboxylic acid Openeye Name: 4-(benzyloxymethyl)-2-[1-(diisopropylamino)ethylamino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[1-[di(propan-2-yl)amino]ethylamino]-6-methyl-4-(phenylmethoxymethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-[1-[di(propan-2-yl)amino]ethylamino]-6-methyl-4-(phenylmethoxymethyl)pyridine-3-carboxylic acid Traditional Name: 4-(benzoxymethyl)-2-[1-(diisopropylamino)ethylamino]-6-methyl-nicotinic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COCC2=CC=CC=C2)C(=O)O)NC(C)N(C(C)C)C(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)COCC2=CC=CC=C2)C(=O)O)NC(C)N(C(C)C)C(C)C

InChI

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