(phenylmethyl) 5-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-5-[1-(4-cyanophenoxy)carbonylvinyloxy]pentanoate CAS Name: 5-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-[1-(4-cyanophenoxy)carbonylvinyloxy]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)COC(=C)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)COC(=C)C(=O)OC2=CC=C(C=C2)C#N

InChI

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