[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C21H20N2O8/c1-28-17-10-13(2-5-15(17)24)3-7-20(26)31-12-19(25)23-21(27)22-14-4-6-16-18(11-14)30-9-8-29-16/h2-7,10-11,24H,8-9,12H2,1H3,(H2,22,23,25,27)