[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC(C)C

InChI

InChI=1S/C23H26N2O5/c1-4-28-21-13-17(9-10-20(21)30-15-16(2)3)23(27)29-12-11-22(26)25-19-8-6-5-7-18(19)14-24/h5-10,13,16H,4,11-12,15H2,1-3H3,(H,25,26)