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

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H24N2O6/c1-3-24(12-18-13-28-19-6-4-5-7-20(19)30-18)21(26)14-29-22(27)16-8-10-17(11-9-16)23-15(2)25/h4-11,18H,3,12-14H2,1-2H3,(H,23,25)/t18-/m0/s1