1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethylamino)piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethylamino)piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(4-pyridylmethylamino)piperidine-3-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(pyridin-4-ylmethylamino)-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethylamino)piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-pyridylmethylamino)nipecotic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)O)NCC2=CC=NC=C2

InChI

InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)20-9-6-14(13(11-20)15(21)22)19-10-12-4-7-18-8-5-12/h4-5,7-8,13-14,19H,6,9-11H2,1-3H3,(H,21,22)