6-[[2-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]ethyl-propyl-amino]methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[2-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]ethyl-propyl-amino]methyl]pyridine-3-carboxylic acid Openeye Name: 6-[[2-[tert-butoxycarbonyl(2-pyridylmethyl)amino]ethyl-propyl-amino]methyl]pyridine-3-carboxylic acid CAS Name: 6-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyridinylmethyl)amino]ethyl-propylamino]methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]ethyl-propylamino]methyl]pyridine-3-carboxylic acid Traditional Name: 6-[[2-[tert-butoxycarbonyl(2-pyridylmethyl)amino]ethyl-propyl-amino]methyl]nicotinic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCN(CC1=CC=CC=N1)C(=O)OC(C)(C)C)CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCCN(CCN(CC1=CC=CC=N1)C(=O)OC(C)(C)C)CC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H32N4O4/c1-5-12-26(16-20-10-9-18(15-25-20)21(28)29)13-14-27(22(30)31-23(2,3)4)17-19-8-6-7-11-24-19/h6-11,15H,5,12-14,16-17H2,1-4H3,(H,28,29)