tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]amino]-2-prop-2-enyl-hex-4-enoate

Systemtic Name: tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]amino]-2-prop-2-enyl-hex-4-enoate Openeye Name: tert-butyl (E,2S,3S)-2-allyl-3-[[(1S)-1-phenylethyl]amino]hex-4-enoate CAS Name: (E,2S,3S)-3-[[(1S)-1-phenylethyl]amino]-2-prop-2-enyl-4-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2S,3S)-3-[[(1S)-1-phenylethyl]amino]-2-prop-2-enylhex-4-enoate Traditional Name: (E,2S,3S)-2-allyl-3-[[(1S)-1-phenylethyl]amino]hex-4-enoic acid tert-butyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-7-12-18(20(23)24-21(4,5)6)19(13-8-2)22-16(3)17-14-10-9-11-15-17/h7-11,13-16,18-19,22H,1,12H2,2-6H3/b13-8+/t16-,18-,19-/m0/s1