3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-pyrrolidin-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-pyrrolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxopyrrolidin-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-pyrrolidin-3-yl]phenyl]propionic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1C(CN(C1=O)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H21N3O3/c21-20(22)15-6-8-17(9-7-15)23-12-16(11-18(23)24)14-4-1-13(2-5-14)3-10-19(25)26/h1-2,4-9,16H,3,10-12H2,(H3,21,22)(H,25,26)