tert-butyl N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylimino-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylimino-ethyl]carbamate Openeye Name: tert-butyl N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylimino-ethyl]carbamate CAS Name: N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidinylimino)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yliminoethyl]carbamate Traditional Name: N-[(1S,2E)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidinoimino-ethyl]carbamic acid tert-butyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C=NN1CCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](/C=N/N1CCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)25-17(22)20-14(11-19-21-8-4-5-9-21)13-6-7-15-16(10-13)24-12-23-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3,(H,20,22)/b19-11+/t14-/m1/s1