1-[(E)-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]but-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]but-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(3-tert-butoxycarbonylazetidin-3-yl)but-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-azetidinyl]-1-oxobut-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]but-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(3-tert-butoxycarbonylazetidin-3-yl)but-2-enoyl]nipecotic acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CNC1)CC=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(CNC1)C/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C18H28N2O5/c1-17(2,3)25-16(24)18(11-19-12-18)8-4-7-14(21)20-9-5-6-13(10-20)15(22)23/h4,7,13,19H,5-6,8-12H2,1-3H3,(H,22,23)/b7-4+