[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

InChI

InChI=1S/C23H22N2O5/c1-13(22(26)24-15-7-9-20-21(11-15)29-12-28-20)30-23(27)14-6-8-19-17(10-14)16-4-2-3-5-18(16)25-19/h6-11,13,25H,2-5,12H2,1H3,(H,24,26)/t13-/m0/s1