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

Systemtic Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate CAS Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylic acid methyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)NCCCC(=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-3-4-14-29-15-16-30-23-10-7-19(8-11-23)20-9-12-24-22(17-20)18-21(25(27)28-2)6-5-13-26-24/h7-12,17-18,26H,3-6,13-16H2,1-2H3/b21-18+