ethyl (2S)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]amino]-3-methyl-butyric acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C1=C(OC(=C1)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC(=O)C1=C(OC(=C1)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H25NO6/c1-5-25-21(24)19(12(2)3)22-20(23)15-11-17(28-13(15)4)14-6-7-16-18(10-14)27-9-8-26-16/h6-7,10-12,19H,5,8-9H2,1-4H3,(H,22,23)/t19-/m0/s1