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

Systemtic Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Openeye Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid CAS Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid IUPAC Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Traditional Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4/c1-3-5-16-31-17-18-32-25-11-8-21(9-12-25)22-10-13-26-24(19-22)20-23(27(29)30)7-6-15-28(26)14-4-2/h8-13,19-20H,3-7,14-18H2,1-2H3,(H,29,30)/b23-20+