methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate

Systemtic Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate CAS Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCCC(=C3)C(=O)OC)CCC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)OC)CCC

InChI

InChI=1S/C28H37NO4/c1-4-6-17-32-18-19-33-26-12-9-22(10-13-26)23-11-14-27-25(20-23)21-24(28(30)31-3)8-7-16-29(27)15-5-2/h9-14,20-21H,4-8,15-19H2,1-3H3/b24-21+