methyl 2-cyclopentyl-2-isocyanato-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)pentanoate

Systemtic Name: methyl 2-cyclopentyl-2-isocyanato-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)pentanoate Openeye Name: methyl 5-(tert-butoxycarbonylamino)-2-cyclopentyl-2-isocyanato-3-(4-nitrophenyl)pentanoate CAS Name: 2-cyclopentyl-2-isocyanato-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)pentanoic acid methyl ester IUPAC Name: methyl 2-cyclopentyl-2-isocyanato-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)pentanoate Traditional Name: 5-(tert-butoxycarbonylamino)-2-cyclopentyl-2-isocyanato-3-(4-nitrophenyl)valeric acid methyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2CCCC2)(C(=O)OC)N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2CCCC2)(C(=O)OC)N=C=O

InChI

InChI=1S/C23H31N3O7/c1-22(2,3)33-21(29)24-14-13-19(16-9-11-18(12-10-16)26(30)31)23(25-15-27,20(28)32-4)17-7-5-6-8-17/h9-12,17,19H,5-8,13-14H2,1-4H3,(H,24,29)