4-azanyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 4-azanyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-amino-5-[3-(tert-butoxycarbonylamino)propyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-amino-5-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-amino-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-amino-5-[3-(tert-butoxycarbonylamino)propyl]-2-phenyl-nicotinic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC1=CN=C(C(=C1N)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC1=CN=C(C(=C1N)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)27-19(26)22-11-7-10-14-12-23-17(13-8-5-4-6-9-13)15(16(14)21)18(24)25/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,21,23)(H,22,26)(H,24,25)