[(3R,4R)-5-ethoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxidanylidene-pent-1-en-3-yl] benzoate

Systemtic Name: [(3R,4R)-5-ethoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxidanylidene-pent-1-en-3-yl] benzoate Openeye Name: [(1R)-1-[(1R)-1-[tert-butoxycarbonyl(methyl)amino]-2-ethoxy-2-oxo-ethyl]allyl] benzoate CAS Name: benzoic acid [(3R,4R)-5-ethoxy-4-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopent-1-en-3-yl] ester IUPAC Name: [(3R,4R)-5-ethoxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopent-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R)-1-[tert-butoxycarbonyl(methyl)amino]-2-ethoxy-2-keto-ethyl]allyl] ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6/c1-7-15(26-17(22)14-12-10-9-11-13-14)16(18(23)25-8-2)21(6)19(24)27-20(3,4)5/h7,9-13,15-16H,1,8H2,2-6H3/t15-,16-/m1/s1