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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CNC(C)CC2=CC=C(C=C2)C(=O)OC)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(CNC(C)CC2=CC=C(C=C2)C(=O)OC)O)O

InChI

InChI=1S/C20H25NO4/c1-13-10-17(8-9-18(13)22)19(23)12-21-14(2)11-15-4-6-16(7-5-15)20(24)25-3/h4-10,14,19,21-23H,11-12H2,1-3H3