[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCOC2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCOC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24ClNO6/c1-3-10-28-20-17(22)12-15(13-18(20)26-2)21(25)29-14-19(24)23-9-11-27-16-7-5-4-6-8-16/h4-8,12-13H,3,9-11,14H2,1-2H3,(H,23,24)