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

Systemtic Name: 6-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(3R)-4-tert-butoxycarbonyl-3-phenyl-piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[(3R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-phenyl-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(3R)-4-tert-butoxycarbonyl-3-phenyl-piperazino]nicotinic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@H]1C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)28-20(27)24-12-11-23(14-17(24)15-7-5-4-6-8-15)18-10-9-16(13-22-18)19(25)26/h4-10,13,17H,11-12,14H2,1-3H3,(H,25,26)/t17-/m0/s1