2-[2-cyano-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]ethanoate

Systemtic Name: 2-[2-cyano-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]ethanoate Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]acetate CAS Name: 2-[2-cyano-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetate IUPAC Name: 2-[2-cyano-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetate Traditional Name: 2-[4-[2-(tert-butoxycarbonylamino)-3-keto-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]acetate Formula: C27H32N3O6- MolecularWeight: 494.55948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)[O-])C#N)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)[O-])C#N)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H33N3O6/c1-27(2,3)36-26(34)30-22(25(33)29-14-8-7-11-19-9-5-4-6-10-19)16-20-12-13-23(21(15-20)17-28)35-18-24(31)32/h4-6,9-10,12-13,15,22H,7-8,11,14,16,18H2,1-3H3,(H,29,33)(H,30,34)(H,31,32)/p-1