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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C/C(=C\C1CCN(CC1)C(=O)OC(C)(C)C)/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C20H32N2O5/c1-14(17(23)22-9-5-6-16(13-22)18(24)25)12-15-7-10-21(11-8-15)19(26)27-20(2,3)4/h12,15-16H,5-11,13H2,1-4H3,(H,24,25)/b14-12+