tert-butyl 3-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-phenylethyl)amino]methyl]benzoate

Systemtic Name: tert-butyl 3-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-phenylethyl)amino]methyl]benzoate Openeye Name: tert-butyl 4-[[tert-butoxycarbonyl(1-phenylethyl)amino]methyl]-3-(methylamino)benzoate CAS Name: 3-(methylamino)-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-phenylethyl)amino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-phenylethyl)amino]methyl]benzoate Traditional Name: 4-[[tert-butoxycarbonyl(1-phenylethyl)amino]methyl]-3-(methylamino)benzoic acid tert-butyl ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)NC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)N(CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)NC)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36N2O4/c1-18(19-12-10-9-11-13-19)28(24(30)32-26(5,6)7)17-21-15-14-20(16-22(21)27-8)23(29)31-25(2,3)4/h9-16,18,27H,17H2,1-8H3