2-chloroethyl 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: 2-chloroethyl 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Openeye Name: 2-chloroethyl 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propionic acid 2-chloroethyl ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)OCCCl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCC(=O)OCCCl)\NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O6/c23-9-11-29-20(26)8-10-24-22(28)17(25-21(27)16-4-2-1-3-5-16)12-15-6-7-18-19(13-15)31-14-30-18/h1-7,12-13H,8-11,14H2,(H,24,28)(H,25,27)/b17-12-