methyl 4-[[(3S)-3-(hydroxymethyl)-4,4-dimethyl-pent-1-yn-3-yl]amino]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(hydroxymethyl)-4,4-dimethyl-pent-1-yn-3-yl]amino]benzoate Openeye Name: methyl 4-[[(1S)-1-tert-butyl-1-(hydroxymethyl)prop-2-ynyl]amino]benzoate CAS Name: 4-[[(3S)-3-(hydroxymethyl)-4,4-dimethylpent-1-yn-3-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(hydroxymethyl)-4,4-dimethylpent-1-yn-3-yl]amino]benzoate Traditional Name: 4-[[(1S)-1-tert-butyl-1-methylol-prop-2-ynyl]amino]benzoic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-6-16(11-18,15(2,3)4)17-13-9-7-12(8-10-13)14(19)20-5/h1,7-10,17-18H,11H2,2-5H3/t16-/m0/s1