tert-butyl 4-[6-[4-(but-3-enylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[4-(but-3-enylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-[4-(but-3-enylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate CAS Name: 4-[6-[4-[(but-3-enylamino)-oxomethyl]phenyl]-4H-1,3-benzodioxin-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[4-(but-3-enylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[6-[4-(but-3-enylcarbamoyl)phenyl]-4H-1,3-benzodioxin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N2O5 MolecularWeight: 492.60654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2OCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)NCCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2OCC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)NCCC=C

InChI

InChI=1S/C29H36N2O5/c1-5-6-15-30-26(32)21-9-7-20(8-10-21)23-11-12-25-24(18-23)19-34-27(35-25)22-13-16-31(17-14-22)28(33)36-29(2,3)4/h5,7-12,18,22,27H,1,6,13-17,19H2,2-4H3,(H,30,32)