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

Systemtic Name: methyl 4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]benzoate Openeye Name: methyl 4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]benzoate CAS Name: 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]benzoate Traditional Name: 4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]benzoic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C20H25NO4/c1-15(12-16-8-10-17(11-9-16)20(23)24-2)21-13-18(22)14-25-19-6-4-3-5-7-19/h3-11,15,18,21-22H,12-14H2,1-2H3