[(E,3R,4R)-2,4-dimethyl-7-oxidanylidene-7-(prop-2-ynylamino)hept-5-en-3-yl] ethanoate

Systemtic Name: [(E,3R,4R)-2,4-dimethyl-7-oxidanylidene-7-(prop-2-ynylamino)hept-5-en-3-yl] ethanoate Openeye Name: [(E,1R,2R)-1-isopropyl-2-methyl-5-oxo-5-(prop-2-ynylamino)pent-3-enyl] acetate CAS Name: acetic acid [(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl] ester IUPAC Name: [(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl] acetate Traditional Name: acetic acid [(E,1R,2R)-1-isopropyl-5-keto-2-methyl-5-(propargylamino)pent-3-enyl] ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C=CC(=O)NCC#C)OC(=O)C

Isomeric SMILES

C[C@H](/C=C/C(=O)NCC#C)[C@@H](C(C)C)OC(=O)C

InChI

InChI=1S/C14H21NO3/c1-6-9-15-13(17)8-7-11(4)14(10(2)3)18-12(5)16/h1,7-8,10-11,14H,9H2,2-5H3,(H,15,17)/b8-7+/t11-,14-/m1/s1