[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H22N2O5/c24-11-4-12-25(18-7-8-19-20(15-18)29-14-13-28-19)21(26)16-30-22(27)23(9-10-23)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-10,12-14,16H2