4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate

Systemtic Name: 4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]butyrate Formula: C16H17N2O6- MolecularWeight: 333.31598

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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)/p-1/b12-7+