4-[(E)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]but-2-enyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[(E)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]but-2-enyl]piperidine-1-carboxylic acid Openeye Name: 4-[(E)-4-(2-tert-butoxycarbonylphenyl)but-2-enyl]piperidine-1-carboxylic acid CAS Name: 4-[(E)-4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]but-2-enyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[(E)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]but-2-enyl]piperidine-1-carboxylic acid Traditional Name: 4-[(E)-4-(2-tert-butoxycarbonylphenyl)but-2-enyl]piperidine-1-carboxylic acid Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1CC=CCC2CCN(CC2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C/C=C/CC2CCN(CC2)C(=O)O

InChI

InChI=1S/C21H29NO4/c1-21(2,3)26-19(23)18-11-7-6-10-17(18)9-5-4-8-16-12-14-22(15-13-16)20(24)25/h4-7,10-11,16H,8-9,12-15H2,1-3H3,(H,24,25)/b5-4+