[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OCC

InChI

InChI=1S/C17H20ClNO5/c1-4-7-19-15(20)11-24-17(21)12-9-13(18)16(23-8-5-2)14(10-12)22-6-3/h1,9-10H,5-8,11H2,2-3H3,(H,19,20)