[(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-but-3-en-2-yl] benzoate

Systemtic Name: [(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-but-3-en-2-yl] benzoate Openeye Name: [(1S)-1-[(S)-(tert-butoxycarbonylamino)-phenyl-methyl]allyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenylbut-3-en-2-yl] ester IUPAC Name: [(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylbut-3-en-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(S)-(tert-butoxycarbonylamino)-phenyl-methyl]allyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C=C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-5-18(26-20(24)17-14-10-7-11-15-17)19(16-12-8-6-9-13-16)23-21(25)27-22(2,3)4/h5-15,18-19H,1H2,2-4H3,(H,23,25)/t18-,19-/m0/s1