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

Systemtic Name: 1-[(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]but-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(1-tert-butoxycarbonyl-3-piperidyl)but-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinyl]-1-oxobut-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]but-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(1-tert-butoxycarbonyl-3-piperidyl)but-2-enoyl]nipecotic acid Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CC=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C20H32N2O5/c1-20(2,3)27-19(26)22-12-5-8-15(13-22)7-4-10-17(23)21-11-6-9-16(14-21)18(24)25/h4,10,15-16H,5-9,11-14H2,1-3H3,(H,24,25)/b10-4+