methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]phenyl]propionic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N3O3/c1-27-19(25)11-4-14-2-5-15(6-3-14)18-12-13-24(21(18)26)17-9-7-16(8-10-17)20(22)23/h2-3,5-10,18H,4,11-13H2,1H3,(H3,22,23)