[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C22H22N2O6/c1-15(25)24-18(11-16-7-3-2-4-8-16)22(27)29-14-21(26)23-12-17-13-28-19-9-5-6-10-20(19)30-17/h2-11,17H,12-14H2,1H3,(H,23,26)(H,24,25)/b18-11-/t17-/m0/s1