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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)OCC

InChI

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