[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]-2-keto-ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O5/c1-22(11-16-12-25-17-4-2-3-5-18(17)27-16)19(23)13-26-20(24)15-8-6-14(10-21)7-9-15/h2-9,16H,11-13H2,1H3/t16-/m0/s1