methyl 3-[4-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(benzylamino)-2-hydroxy-propoxy]phenyl]propanoate CAS Name: 3-[4-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(benzylamino)-2-hydroxypropoxy]phenyl]propanoate Traditional Name: 3-[4-[3-(benzylamino)-2-hydroxy-propoxy]phenyl]propionic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)O

InChI

InChI=1S/C20H25NO4/c1-24-20(23)12-9-16-7-10-19(11-8-16)25-15-18(22)14-21-13-17-5-3-2-4-6-17/h2-8,10-11,18,21-22H,9,12-15H2,1H3