4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]butyric acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c24-19(25)7-4-10-22-21(27)16(23-20(26)15-5-2-1-3-6-15)11-14-8-9-17-18(12-14)29-13-28-17/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,27)(H,23,26)(H,24,25)