5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-3-carboxylic acid

Systemtic Name: 5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-3-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propoxy]pyridine-3-carboxylic acid CAS Name: 5-[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-3-pyridinecarboxylic acid IUPAC Name: 5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-3-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propoxy]nicotinic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC3=CN=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC3=CN=CC(=C3)C(=O)O

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)30-21(28)25-16(8-14-11-24-19-7-5-4-6-18(14)19)13-29-17-9-15(20(26)27)10-23-12-17/h4-7,9-12,16,24H,8,13H2,1-3H3,(H,25,28)(H,26,27)