6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)pyridine-3-carboxylic acid CAS Name: 6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)nicotinic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-8-4-7-18(9-10-19)13-6-5-12(11-17-13)14(20)21/h5-6,11H,4,7-10H2,1-3H3,(H,20,21)