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

Systemtic Name: 4-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]butyric acid Formula: C16H18N2O6 MolecularWeight: 334.32392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NCCCC(=O)O

Isomeric SMILES

CC(=O)N/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)NCCCC(=O)O

InChI

InChI=1S/C16H18N2O6/c1-10(19)18-12(16(22)17-6-2-3-15(20)21)7-11-4-5-13-14(8-11)24-9-23-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,17,22)(H,18,19)(H,20,21)/b12-7-