[(E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enyl] benzoate

Systemtic Name: [(E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enyl] benzoate Openeye Name: [(E,4S)-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enyl] benzoate CAS Name: benzoic acid [(E,4S)-5-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hex-2-enyl] ester IUPAC Name: [(E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enyl] benzoate Traditional Name: benzoic acid [(E,4S)-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CCOC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](/C=C/COC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H27NO4/c1-14(2)16(20-18(22)24-19(3,4)5)12-9-13-23-17(21)15-10-7-6-8-11-15/h6-12,14,16H,13H2,1-5H3,(H,20,22)/b12-9+/t16-/m1/s1