methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]butyl]benzoate

Systemtic Name: methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-oxidanyl-ethyl]amino]butyl]benzoate Openeye Name: methyl 4-[3-[[2-(benzofuran-2-yl)-2-hydroxy-ethyl]amino]butyl]benzoate CAS Name: 4-[3-[[2-(2-benzofuranyl)-2-hydroxyethyl]amino]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]butyl]benzoate Traditional Name: 4-[3-[[2-(benzofuran-2-yl)-2-hydroxy-ethyl]amino]butyl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=CC=CC=C3O2)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC3=CC=CC=C3O2)O

InChI

InChI=1S/C22H25NO4/c1-15(7-8-16-9-11-17(12-10-16)22(25)26-2)23-14-19(24)21-13-18-5-3-4-6-20(18)27-21/h3-6,9-13,15,19,23-24H,7-8,14H2,1-2H3