methyl 4-[2-[[2-oxidanyl-2-(3-phenylmethoxyphenyl)ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-oxidanyl-2-(3-phenylmethoxyphenyl)ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(3-benzyloxyphenyl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-hydroxy-2-(3-phenylmethoxyphenyl)ethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-hydroxy-2-(3-phenylmethoxyphenyl)ethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(3-benzoxyphenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO4/c1-19(15-20-11-13-22(14-12-20)26(29)30-2)27-17-25(28)23-9-6-10-24(16-23)31-18-21-7-4-3-5-8-21/h3-14,16,19,25,27-28H,15,17-18H2,1-2H3