3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

Systemtic Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-b]pyridine-1-carboxylic acid Openeye Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)pyrrolo[2,3-b]pyridine-1-carboxylic acid CAS Name: 3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-1-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-b]pyridine-1-carboxylic acid Traditional Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)pyrrolo[2,3-b]pyridine-1-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=N3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=CC=N3)C(=O)O

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-9-6-12(7-10-20)14-11-21(16(22)23)15-13(14)5-4-8-19-15/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,22,23)