methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C20H27N3O6/c1-13(2)17(19(25)27-3)21-20(26)23-10-8-22(9-11-23)18(24)16-12-28-14-6-4-5-7-15(14)29-16/h4-7,13,16-17H,8-12H2,1-3H3,(H,21,26)/t16?,17-/m0/s1