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

Systemtic Name: methyl 4-[2-[[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(3-acetamido-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-(3-acetamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(3-acetamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(3-acetamido-4-hydroxy-phenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)O)NC(=O)C)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=C(C=C2)O)NC(=O)C)O

InChI

InChI=1S/C21H26N2O5/c1-13(10-15-4-6-16(7-5-15)21(27)28-3)22-12-20(26)17-8-9-19(25)18(11-17)23-14(2)24/h4-9,11,13,20,22,25-26H,10,12H2,1-3H3,(H,23,24)