methyl 9-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]amino]-9-oxidanylidene-nonanoate

Systemtic Name: methyl 9-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]amino]-9-oxidanylidene-nonanoate Openeye Name: methyl 9-[4-[(tert-butoxycarbonylamino)carbamoyl]anilino]-9-oxo-nonanoate CAS Name: 9-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-oxomethyl]anilino]-9-oxononanoic acid methyl ester IUPAC Name: methyl 9-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]anilino]-9-oxononanoate Traditional Name: 9-[4-[(tert-butoxycarbonylamino)carbamoyl]anilino]-9-keto-pelargonic acid methyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCC(=O)OC

InChI

InChI=1S/C22H33N3O6/c1-22(2,3)31-21(29)25-24-20(28)16-12-14-17(15-13-16)23-18(26)10-8-6-5-7-9-11-19(27)30-4/h12-15H,5-11H2,1-4H3,(H,23,26)(H,24,28)(H,25,29)