methyl 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]propanoate CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenyl]propanoate Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]ethyl]phenyl]propionic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H23N3O3/c1-26-18(24)11-6-14-2-4-15(5-3-14)12-13-23-20(25)17-9-7-16(8-10-17)19(21)22/h2-5,7-10H,6,11-13H2,1H3,(H3,21,22)(H,23,25)