[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H27NO6/c1-25-17-13-16(14-18-21(17)27-12-11-26-18)7-8-20(24)28-15-19(23)22-9-5-3-2-4-6-10-22/h7-8,13-14H,2-6,9-12,15H2,1H3/b8-7+