(phenylmethyl) 4-[2-azanyl-2-azanylidene-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-2-azanylidene-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate Openeye Name: benzyl 4-[2-amino-1-(tert-butoxycarbonylamino)-2-imino-ethyl]benzoate CAS Name: 4-[2-amino-2-imino-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-2-imino-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate Traditional Name: 4-[2-amino-1-(tert-butoxycarbonylamino)-2-imino-ethyl]benzoic acid benzyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)28-20(26)24-17(18(22)23)15-9-11-16(12-10-15)19(25)27-13-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H3,22,23)(H,24,26)