tert-butyl 4-[4-azanyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]benzoate; hexan-1-amine

Systemtic Name: tert-butyl 4-[4-azanyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]benzoate; hexan-1-amine Openeye Name: tert-butyl 4-[4-amino-3-[tert-butoxycarbonyl(methyl)amino]phenoxy]benzoate; hexan-1-amine CAS Name: 4-[4-amino-3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenoxy]benzoic acid tert-butyl ester; 1-hexanamine IUPAC Name: tert-butyl 4-[4-amino-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]benzoate; hexan-1-amine Traditional Name: 4-[4-amino-3-[tert-butoxycarbonyl(methyl)amino]phenoxy]benzoic acid tert-butyl ester; hexylamine Formula: C29H45N3O5 MolecularWeight: 515.6847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC(C)(C)OC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)N)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCN.CC(C)(C)OC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)N)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H30N2O5.C6H15N/c1-22(2,3)29-20(26)15-8-10-16(11-9-15)28-17-12-13-18(24)19(14-17)25(7)21(27)30-23(4,5)6;1-2-3-4-5-6-7/h8-14H,24H2,1-7H3;2-7H2,1H3