methyl 4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxidanylidene-imidazolidin-1-yl]-3-ethyl-benzoate

Systemtic Name: methyl 4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxidanylidene-imidazolidin-1-yl]-3-ethyl-benzoate Openeye Name: methyl 4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxo-imidazolidin-1-yl]-3-ethyl-benzoate CAS Name: 4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxo-1-imidazolidinyl]-3-ethylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-carbamimidoylphenyl)-5-methyl-2-oxoimidazolidin-1-yl]-3-ethylbenzoate Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-5-methyl-imidazolidin-1-yl]-3-ethyl-benzoic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)OC)N2C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)OC)N2C(CN(C2=O)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C21H24N4O3/c1-4-14-11-16(20(26)28-3)7-10-18(14)25-13(2)12-24(21(25)27)17-8-5-15(6-9-17)19(22)23/h5-11,13H,4,12H2,1-3H3,(H3,22,23)