[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H23NO6/c24-21(23(13-17-9-6-12-26-17)16-7-2-1-3-8-16)15-28-22(25)20-14-27-18-10-4-5-11-19(18)29-20/h4-7,9-12,20H,1-3,8,13-15H2/t20-/m0/s1