(phenylmethyl) 5-(5-cyano-2-prop-2-enoyloxy-phenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-(5-cyano-2-prop-2-enoyloxy-phenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate CAS Name: 5-[5-cyano-2-(1-oxoprop-2-enoxy)phenoxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(5-cyano-2-prop-2-enoyloxyphenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 5-(2-acryloyloxy-5-cyano-phenoxy)-4-(tert-butoxycarbonylamino)valeric acid benzyl ester Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)COC2=C(C=CC(=C2)C#N)OC(=O)C=C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)COC2=C(C=CC(=C2)C#N)OC(=O)C=C

InChI

InChI=1S/C27H30N2O7/c1-5-24(30)35-22-13-11-20(16-28)15-23(22)33-18-21(29-26(32)36-27(2,3)4)12-14-25(31)34-17-19-9-7-6-8-10-19/h5-11,13,15,21H,1,12,14,17-18H2,2-4H3,(H,29,32)