[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C24H18N2O5/c1-15(23(27)26-17-10-11-21-22(12-17)30-14-29-21)31-24(28)20-9-5-4-8-19(20)18-7-3-2-6-16(18)13-25/h2-12,15H,14H2,1H3,(H,26,27)/t15-/m1/s1