methyl 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxy-ethyl]phenyl]propanoate CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-hydroxyethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxyethyl]phenyl]propanoate Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]-1-hydroxy-ethyl]phenyl]propionic acid methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-27-18(25)11-4-13-2-5-14(6-3-13)17(24)12-23-20(26)16-9-7-15(8-10-16)19(21)22/h2-3,5-10,17,24H,4,11-12H2,1H3,(H3,21,22)(H,23,26)