methyl (2R)-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[4-(coumaran-5-ylmethyl)piperazino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4/c1-16(2)12-19(22(27)28-3)23-21(26)15-25-9-7-24(8-10-25)14-17-4-5-20-18(13-17)6-11-29-20/h4-5,13,16,19H,6-12,14-15H2,1-3H3,(H,23,26)/t19-/m1/s1