benzoic acid; 1-[5-(4-phenoxypentyl)-1-benzofuran-4-yl]propan-2-amine

Systemtic Name: benzoic acid; 1-[5-(4-phenoxypentyl)-1-benzofuran-4-yl]propan-2-amine Openeye Name: benzoic acid; 1-[5-(4-phenoxypentyl)benzofuran-4-yl]propan-2-amine CAS Name: benzoic acid; 1-[5-(4-phenoxypentyl)-4-benzofuranyl]-2-propanamine IUPAC Name: benzoic acid; 1-[5-(4-phenoxypentyl)-1-benzofuran-4-yl]propan-2-amine Traditional Name: benzoic acid; [1-methyl-2-[5-(4-phenoxypentyl)benzofuran-4-yl]ethyl]amine Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=C(C2=C(C=C1)OC=C2)CC(C)N)OC3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(CCCC1=C(C2=C(C=C1)OC=C2)CC(C)N)OC3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H27NO2.C7H6O2/c1-16(23)15-21-18(11-12-22-20(21)13-14-24-22)8-6-7-17(2)25-19-9-4-3-5-10-19;8-7(9)6-4-2-1-3-5-6/h3-5,9-14,16-17H,6-8,15,23H2,1-2H3;1-5H,(H,8,9)