(2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioate

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioate Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioate CAS Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]pentanedioate IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanedioate Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]glutarate Formula: C22H18N2O8-2 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,10-11,15H,7,9,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-2/b16-10+/t15-/m1/s1