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

Systemtic Name: (5E)-2-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Openeye Name: (5E)-2-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid CAS Name: (5E)-2-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid IUPAC Name: (5E)-2-[4-(2-butoxyethoxy)phenyl]-1-propyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Traditional Name: (5E)-2-[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)C2CCC(=CC3=CC=CC=C3N2CCC)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC/C(=C\C3=CC=CC=C3N2CCC)/C(=O)O

InChI

InChI=1S/C27H35NO4/c1-3-5-17-31-18-19-32-24-13-10-21(11-14-24)26-15-12-23(27(29)30)20-22-8-6-7-9-25(22)28(26)16-4-2/h6-11,13-14,20,26H,3-5,12,15-19H2,1-2H3,(H,29,30)/b23-20+