tert-butyl 3-azanyl-4-[[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate

Systemtic Name: tert-butyl 3-azanyl-4-[[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate Openeye Name: tert-butyl 3-amino-4-[[tert-butoxycarbonyl(isopentyl)amino]methyl]benzoate CAS Name: 3-amino-4-[[3-methylbutyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-4-[[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate Traditional Name: 3-amino-4-[[tert-butoxycarbonyl(isoamyl)amino]methyl]benzoic acid tert-butyl ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN(CC1=C(C=C(C=C1)C(=O)OC(C)(C)C)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O4/c1-15(2)11-12-24(20(26)28-22(6,7)8)14-17-10-9-16(13-18(17)23)19(25)27-21(3,4)5/h9-10,13,15H,11-12,14,23H2,1-8H3