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

Systemtic Name: methyl (2R)-2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-[[2-(4-piperonylpiperazino)acetyl]amino]valeric acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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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)OCO3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H31N3O5/c1-15(2)10-17(21(26)27-3)22-20(25)13-24-8-6-23(7-9-24)12-16-4-5-18-19(11-16)29-14-28-18/h4-5,11,15,17H,6-10,12-14H2,1-3H3,(H,22,25)/t17-/m1/s1