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

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-(4-piperonylpiperazino)-N-p-phenetyl-propionamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O4/c1-3-28-20-7-5-19(6-8-20)24-23(27)17(2)26-12-10-25(11-13-26)15-18-4-9-21-22(14-18)30-16-29-21/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,24,27)/t17-/m0/s1