(2S)-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[4-(coumaran-5-ylmethyl)piperazino]acetyl]amino]-N-propyl-propionamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C21H32N4O3/c1-3-7-22-21(27)16(2)23-20(26)15-25-10-8-24(9-11-25)14-17-4-5-19-18(13-17)6-12-28-19/h4-5,13,16H,3,6-12,14-15H2,1-2H3,(H,22,27)(H,23,26)/t16-/m0/s1