[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC#C)OCCOC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC#C)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H23NO6/c1-3-12-23-21(24)16-29-22(25)17-10-11-19(20(15-17)26-4-2)28-14-13-27-18-8-6-5-7-9-18/h1,5-11,15H,4,12-14,16H2,2H3,(H,23,24)