[4-[bis(azanyl)methylideneamino]phenyl] 2,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] 2,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-guanidinophenyl) 2-(benzyloxycarbonylamino)-2,4-dimethyl-pentanoate CAS Name: 2,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] 2,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-2,4-dimethyl-valeric acid (4-guanidinophenyl) ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-15(2)13-22(3,26-21(28)29-14-16-7-5-4-6-8-16)19(27)30-18-11-9-17(10-12-18)25-20(23)24/h4-12,15H,13-14H2,1-3H3,(H,26,28)(H4,23,24,25)