[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-butoxy-3-chloranyl-5-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C17H20ClNO5/c1-4-6-8-23-16-13(18)9-12(10-14(16)22-3)17(21)24-11-15(20)19-7-5-2/h2,9-10H,4,6-8,11H2,1,3H3,(H,19,20)