ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-4-28-21(27)24-11-9-23(10-12-24)20(26)18(14(2)3)22-19(25)17-13-29-15-7-5-6-8-16(15)30-17/h5-8,14,17-18H,4,9-13H2,1-3H3,(H,22,25)/t17?,18-/m0/s1