methyl (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate

Systemtic Name: methyl (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Openeye Name: methyl (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate CAS Name: (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester IUPAC Name: methyl (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Traditional Name: (6E)-9-[4-(2-butoxyethoxy)phenyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester Formula: C29H39NO4 MolecularWeight: 465.62426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO4/c1-4-6-18-33-19-20-34-27-13-10-23(11-14-27)24-12-15-28-26(21-24)22-25(29(31)32-3)9-7-8-17-30(28)16-5-2/h10-15,21-22H,4-9,16-20H2,1-3H3/b25-22+