(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazino]-N-piperonyl-propionamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O4/c1-15(21(26)22-13-16-2-7-19-20(12-16)28-14-27-19)23-8-10-24(11-9-23)17-3-5-18(25)6-4-17/h2-7,12,15,25H,8-11,13-14H2,1H3,(H,22,26)/t15-/m0/s1