6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]hexanoate

Systemtic Name: 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]hexanoate Openeye Name: 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoate CAS Name: 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]hexanoate IUPAC Name: 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoate Traditional Name: 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-furoylamino)acryloyl]amino]hexanoate Formula: C21H21N2O7- MolecularWeight: 413.40064

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCCCC(=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCCCCC(=O)[O-])\NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N2O7/c24-19(25)6-2-1-3-9-22-20(26)15(23-21(27)17-5-4-10-28-17)11-14-7-8-16-18(12-14)30-13-29-16/h4-5,7-8,10-12H,1-3,6,9,13H2,(H,22,26)(H,23,27)(H,24,25)/p-1/b15-11-