[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)OCC(C)C

InChI

InChI=1S/C23H26N2O5/c1-5-28-21-12-18(9-10-20(21)29-14-15(2)3)23(27)30-16(4)22(26)25-19-8-6-7-17(11-19)13-24/h6-12,15-16H,5,14H2,1-4H3,(H,25,26)