(phenylmethyl) 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-(phenylmethyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-(phenylmethyl)amino]ethanoate Openeye Name: benzyl 2-[benzyl-[6-(tert-butoxycarbonylamino)hexyl]amino]acetate CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl-(phenylmethyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[benzyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetate Traditional Name: 2-[benzyl-[6-(tert-butoxycarbonylamino)hexyl]amino]acetic acid benzyl ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN(CC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN(CC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O4/c1-27(2,3)33-26(31)28-18-12-4-5-13-19-29(20-23-14-8-6-9-15-23)21-25(30)32-22-24-16-10-7-11-17-24/h6-11,14-17H,4-5,12-13,18-22H2,1-3H3,(H,28,31)