(2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-2-phenyl-acetate Formula: C20H17N2O6- MolecularWeight: 381.35878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)N[C@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12(23)21-15(9-13-7-8-16-17(10-13)28-11-27-16)19(24)22-18(20(25)26)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1/b15-9-/t18-/m1/s1