methyl 4-[[(2S)-2-methyl-1-oxidanyl-but-3-yn-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-methyl-1-oxidanyl-but-3-yn-2-yl]amino]benzoate Openeye Name: methyl 4-[[(1S)-1-(hydroxymethyl)-1-methyl-prop-2-ynyl]amino]benzoate CAS Name: 4-[[(2S)-1-hydroxy-2-methylbut-3-yn-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-1-hydroxy-2-methylbut-3-yn-2-yl]amino]benzoate Traditional Name: 4-[[(1S)-1-methyl-1-methylol-prop-2-ynyl]amino]benzoic acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C#C)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C[C@@](CO)(C#C)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H15NO3/c1-4-13(2,9-15)14-11-7-5-10(6-8-11)12(16)17-3/h1,5-8,14-15H,9H2,2-3H3/t13-/m0/s1