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

Systemtic Name: tert-butyl 4-azanyl-3-[[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]methyl]benzoate Openeye Name: tert-butyl 4-amino-3-[[tert-butoxycarbonyl(phenethyl)amino]methyl]benzoate CAS Name: 4-amino-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenethylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-[[(2-methylpropan-2-yl)oxycarbonyl-phenethylamino]methyl]benzoate Traditional Name: 4-amino-3-[[tert-butoxycarbonyl(phenethyl)amino]methyl]benzoic acid tert-butyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34N2O4/c1-24(2,3)30-22(28)19-12-13-21(26)20(16-19)17-27(23(29)31-25(4,5)6)15-14-18-10-8-7-9-11-18/h7-13,16H,14-15,17,26H2,1-6H3