1-butoxycarbonyl-4-pyridin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 1-butoxycarbonyl-4-pyridin-3-yl-piperidine-4-carboxylic acid Openeye Name: 1-butoxycarbonyl-4-(3-pyridyl)piperidine-4-carboxylic acid CAS Name: 1-[butoxy(oxo)methyl]-4-(3-pyridinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-butoxycarbonyl-4-pyridin-3-ylpiperidine-4-carboxylic acid Traditional Name: 1-butoxycarbonyl-4-(3-pyridyl)isonipecotic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(CC1)(C2=CN=CC=C2)C(=O)O

Isomeric SMILES

CCCCOC(=O)N1CCC(CC1)(C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-2-3-11-22-15(21)18-9-6-16(7-10-18,14(19)20)13-5-4-8-17-12-13/h4-5,8,12H,2-3,6-7,9-11H2,1H3,(H,19,20)