tert-butylazanium; (E,2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenyl-hex-5-enoate

Systemtic Name: tert-butylazanium; (E,2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenyl-hex-5-enoate Openeye Name: (E,2R,3S)-3-tert-butoxycarbonyl-2-isobutyl-6-phenyl-hex-5-enoate; tert-butylammonium CAS Name: tert-butylammonium; (E,2R,3S)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(2-methylpropyl)-6-phenyl-5-hexenoate IUPAC Name: tert-butylazanium; (E,2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhex-5-enoate Traditional Name: (E,2R,3S)-3-tert-butoxycarbonyl-2-isobutyl-6-phenyl-hex-5-enoate; tert-butylammonium Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)[O-].CC(C)(C)[NH3+]

Isomeric SMILES

CC(C)C[C@H]([C@H](C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)[O-].CC(C)(C)[NH3+]

InChI

InChI=1S/C21H30O4.C4H11N/c1-15(2)14-18(19(22)23)17(20(24)25-21(3,4)5)13-9-12-16-10-7-6-8-11-16;1-4(2,3)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,22,23);5H2,1-3H3/b12-9+;/t17-,18+;/m0./s1