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

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-6-phenyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)-6-phenyl-pyridine-3-carboxylic acid CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]-6-phenyl-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-6-phenylpyridine-3-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)-6-phenyl-nicotinic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC(=N2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)25-13-7-12-24(14-15-25)19-17(20(26)27)10-11-18(23-19)16-8-5-4-6-9-16/h4-6,8-11H,7,12-15H2,1-3H3,(H,26,27)