[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C23H25NO4/c1-5-14-24-21(25)16-28-22(26)18-8-6-17(7-9-18)15-27-20-12-10-19(11-13-20)23(2,3)4/h1,6-13H,14-16H2,2-4H3,(H,24,25)