[4-[bis(azanyl)methylideneamino]phenyl] 2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] 2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-guanidinophenyl) 2-(benzyloxycarbonylamino)-2-methyl-3-phenyl-propanoate CAS Name: 2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] 2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-2-methyl-3-phenyl-propionic acid (4-guanidinophenyl) ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)OC2=CC=C(C=C2)N=C(N)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)OC2=CC=C(C=C2)N=C(N)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O4/c1-25(16-18-8-4-2-5-9-18,29-24(31)32-17-19-10-6-3-7-11-19)22(30)33-21-14-12-20(13-15-21)28-23(26)27/h2-15H,16-17H2,1H3,(H,29,31)(H4,26,27,28)