tert-butyl 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]azepane-1-carboxylate

Systemtic Name: tert-butyl 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]azepane-1-carboxylate Openeye Name: tert-butyl 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]azepane-1-carboxylate CAS Name: 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]azepane-1-carboxylate Traditional Name: 2-ethoxy-3-[(E)-4-phenylbut-3-enyl]azepane-1-carboxylic acid tert-butyl ester Formula: C23H35NO3 MolecularWeight: 373.5289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCCN1C(=O)OC(C)(C)C)CCC=CC2=CC=CC=C2

Isomeric SMILES

CCOC1C(CCCCN1C(=O)OC(C)(C)C)CC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H35NO3/c1-5-26-21-20(16-10-9-15-19-13-7-6-8-14-19)17-11-12-18-24(21)22(25)27-23(2,3)4/h6-9,13-15,20-21H,5,10-12,16-18H2,1-4H3/b15-9+