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

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] 2-methyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-guanidinophenyl) 2-(benzyloxycarbonylamino)-2-methyl-propanoate CAS Name: 2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] 2-methyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-2-methyl-propionic acid (4-guanidinophenyl) ester Formula: C19H22N4O4 MolecularWeight: 370.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=C(C=C1)N=C(N)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)OC1=CC=C(C=C1)N=C(N)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22N4O4/c1-19(2,23-18(25)26-12-13-6-4-3-5-7-13)16(24)27-15-10-8-14(9-11-15)22-17(20)21/h3-11H,12H2,1-2H3,(H,23,25)(H4,20,21,22)