methyl 3-[[3-[3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]propanoate

Systemtic Name: methyl 3-[[3-[3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]propanoate Openeye Name: methyl 3-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]propanoate CAS Name: 3-[[3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]phenyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]propanoate Traditional Name: 3-[[3-[3-(4-ethylpiperazino)-2-hydroxy-propoxy]benzyl]amino]propionic acid methyl ester Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCC(=O)OC)O

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCC(=O)OC)O

InChI

InChI=1S/C20H33N3O4/c1-3-22-9-11-23(12-10-22)15-18(24)16-27-19-6-4-5-17(13-19)14-21-8-7-20(25)26-2/h4-6,13,18,21,24H,3,7-12,14-16H2,1-2H3