[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C18H18N2O6/c1-10(12-3-4-15-16(6-12)26-9-25-15)20-17(22)8-24-18(23)14-5-13(7-19-14)11(2)21/h3-7,10,19H,8-9H2,1-2H3,(H,20,22)/t10-/m1/s1