(phenylmethyl) 3-[4-(4-azanylbutoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[4-(4-azanylbutoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl 3-[4-(4-aminobutoxy)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[4-(4-aminobutoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(4-aminobutoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[4-(4-aminobutoxy)phenyl]-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCCCCN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCCCCN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O5/c1-25(2,3)32-24(29)27-22(23(28)31-18-20-9-5-4-6-10-20)17-19-11-13-21(14-12-19)30-16-8-7-15-26/h4-6,9-14,22H,7-8,15-18,26H2,1-3H3,(H,27,29)