3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-4-oxidanylidene-butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-4-oxidanylidene-butoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-4-oxo-butoxy]phenyl]propanoate CAS Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-4-oxobutoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-4-oxobutoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-[4-(2-imidazolin-2-ylamino)-4-keto-butoxy]phenyl]propionate Formula: C24H27N4O6- MolecularWeight: 467.49438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC(=O)CCCOC2=CC=C(C=C2)CC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN=C(N1)NC(=O)CCCOC2=CC=C(C=C2)CC(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O6/c29-21(28-23-25-12-13-26-23)7-4-14-33-19-10-8-17(9-11-19)15-20(22(30)31)27-24(32)34-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,27,32)(H,30,31)(H2,25,26,28,29)/p-1