ethyl 5-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]pentanoate

Systemtic Name: ethyl 5-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]pentanoate Openeye Name: ethyl 5-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]pentanoate CAS Name: 5-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]pentanoate Traditional Name: 5-[4-[(E)-N'-carbobenzoxyamidino]phenyl]valeric acid ethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=CC=C(C=C1)C(=NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CCCCC1=CC=C(C=C1)/C(=N\C(=O)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C22H26N2O4/c1-2-27-20(25)11-7-6-8-17-12-14-19(15-13-17)21(23)24-22(26)28-16-18-9-4-3-5-10-18/h3-5,9-10,12-15H,2,6-8,11,16H2,1H3,(H2,23,24,26)