[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(4-phenylbut-3-ynylamino)benzoate

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(4-phenylbut-3-ynylamino)benzoate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 4-(4-phenylbut-3-ynylamino)benzoate CAS Name: 4-(4-phenylbut-3-ynylamino)benzoic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 4-(4-phenylbut-3-ynylamino)benzoate Traditional Name: 4-(4-phenylbut-3-ynylamino)benzoic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=COC(=O)C1=CC=C(C=C1)NCCC#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/OC(=O)C1=CC=C(C=C1)NCCC#CC2=CC=CC=C2

InChI

InChI=1S/C22H21NO4/c1-2-26-21(24)15-17-27-22(25)19-11-13-20(14-12-19)23-16-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-15,17,23H,2,7,16H2,1H3/b17-15+