methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoate hydrochloride

Systemtic Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoate hydrochloride Openeye Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]-3-methyl-butanoate hydrochloride CAS Name: 4-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]-3-methylbutanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]-3-methylbutanoate hydrochloride Traditional Name: 4-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]-3-methyl-butyric acid methyl ester hydrochloride Formula: C22H27ClN4O3 MolecularWeight: 430.92778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)OC.Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)CC(=O)OC.Cl

InChI

InChI=1S/C22H26N4O3.ClH/c1-15(14-20(27)29-2)13-16-3-7-18(8-4-16)25-11-12-26(22(25)28)19-9-5-17(6-10-19)21(23)24;/h3-10,15H,11-14H2,1-2H3,(H3,23,24);1H