[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-[[anilino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-keto-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC(=O)NC(=O)NC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3)OC1

InChI

InChI=1S/C21H20N2O6/c24-19(23-21(26)22-16-5-2-1-3-6-16)14-29-20(25)10-8-15-7-9-17-18(13-15)28-12-4-11-27-17/h1-3,5-10,13H,4,11-12,14H2,(H2,22,23,24,26)/b10-8+