4-(methylamino)hex-1-yn-3-yl 4-methylbenzoate

Systemtic Name: 4-(methylamino)hex-1-yn-3-yl 4-methylbenzoate Openeye Name: [1-ethynyl-2-(methylamino)butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-(methylamino)hex-1-yn-3-yl ester IUPAC Name: 4-(methylamino)hex-1-yn-3-yl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 1-[1-(methylamino)propyl]prop-2-ynyl ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#C)OC(=O)C1=CC=C(C=C1)C)NC

Isomeric SMILES

CCC(C(C#C)OC(=O)C1=CC=C(C=C1)C)NC

InChI

InChI=1S/C15H19NO2/c1-5-13(16-4)14(6-2)18-15(17)12-9-7-11(3)8-10-12/h2,7-10,13-14,16H,5H2,1,3-4H3