ethyl (E)-3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylcarbonyl)but-2-enoate

Systemtic Name: ethyl (E)-3-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(phenylcarbonyl)but-2-enoate Openeye Name: ethyl (E)-2-benzoyl-3-[tert-butoxycarbonyl-[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]but-2-enoate CAS Name: (E)-2-benzoyl-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-benzoyl-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate Traditional Name: (E)-2-benzoyl-3-[tert-butoxycarbonyl-[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]but-2-enoic acid ethyl ester Formula: C22H29NO7 MolecularWeight: 419.46816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7/c1-8-29-20(26)17(18(24)16-12-10-9-11-13-16)14(2)23(15(3)19(25)28-7)21(27)30-22(4,5)6/h9-13,15H,8H2,1-7H3/b17-14+/t15-/m0/s1