5-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]pyrazin-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]pyrazin-2-yl]pyridine-3-carboxylic acid Openeye Name: 5-[6-[benzyl(tert-butoxycarbonyl)amino]pyrazin-2-yl]pyridine-3-carboxylic acid CAS Name: 5-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-pyrazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazin-2-yl]pyridine-3-carboxylic acid Traditional Name: 5-[6-[benzyl(tert-butoxycarbonyl)amino]pyrazin-2-yl]nicotinic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=NC(=CN=C2)C3=CC(=CN=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2=NC(=CN=C2)C3=CC(=CN=C3)C(=O)O

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)30-21(29)26(14-15-7-5-4-6-8-15)19-13-24-12-18(25-19)16-9-17(20(27)28)11-23-10-16/h4-13H,14H2,1-3H3,(H,27,28)