ethyl (E,4S,5S)-4-acetyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-2-enoate

Systemtic Name: ethyl (E,4S,5S)-4-acetyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hex-2-enoate Openeye Name: ethyl (E,4S,5S)-4-acetoxy-5-(tert-butoxycarbonylamino)-6-phenyl-hex-2-enoate CAS Name: (E,4S,5S)-4-acetyloxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5S)-4-acetyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-2-enoate Traditional Name: (E,4S,5S)-4-acetoxy-5-(tert-butoxycarbonylamino)-6-phenyl-hex-2-enoic acid ethyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C21H29NO6/c1-6-26-19(24)13-12-18(27-15(2)23)17(14-16-10-8-7-9-11-16)22-20(25)28-21(3,4)5/h7-13,17-18H,6,14H2,1-5H3,(H,22,25)/b13-12+/t17-,18-/m0/s1