2-[(4-carbamimidoylphenyl)carbonylamino]ethyl 3-phenylpropanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]ethyl 3-phenylpropanoate Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]ethyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]ethyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 2-[(4-amidinobenzoyl)amino]ethyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O3/c20-18(21)15-7-9-16(10-8-15)19(24)22-12-13-25-17(23)11-6-14-4-2-1-3-5-14/h1-5,7-10H,6,11-13H2,(H3,20,21)(H,22,24)